Laticauda semifasciata iii

Structural Information

Molecular Formula

C₃₀₅H₄₅₈N₈₆O₁₀₀S₁₀

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CC5=CNC6=CC=CC=C65)C)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC7=CC=C(C=C7)O)C(C)C)CCCCN)CO)CC8=CNC9=CC=CC=C98)CO)CO)CCCNC(=N)N)CCCCN)C(C)C)CC(C)C)CCC(=O)O)CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C2=O)CO)C(C)C)CC(=O)N)[C@@H](C)O)[C@@H](C)O)CCC(=O)O)[C@@H](C)CC)CCCCN)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)C)CC(=O)O)CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N2CCC[C@H]2C(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)CCC(=O)N)CO)[C@@H](C)O)CCC(=O)N)[C@@H](C)O)CC(=O)O)CC1=CN=CN1)CC(=O)N)CC(C)C)CC1=CC=C(C=C1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C305H458N86O100S10/c1-25-142(13)234-292(479)344-173(58-37-41-91-309)252(439)369-207(284(471)373-206-131-497-493-128-203(368-251(438)171(56-35-39-89-307)340-267(454)191(111-229(425)426)348-244(431)146(17)333-272(459)196(121-393)364-283(206)470)279(466)355-189(108-218(314)410)269(456)386-240(152(23)402)296(483)361-193(103-157-68-74-163(406)75-69-157)299(486)391-97-47-63-214(391)303(490)491)132-499-501-135-209(301(488)390-96-46-62-213(390)287(474)367-200(125-397)276(463)380-233(141(11)12)291(478)359-190(109-219(315)411)270(457)384-236(148(19)398)288(475)329-119-224(416)377-237(149(20)399)294(481)346-179(258(445)381-234)81-87-228(423)424)375-297(484)238(150(21)400)383-245(432)147(18)331-242(429)144(15)334-277(464)201-126-492-500-134-210-302(489)389-95-45-61-212(389)286(473)366-195(120-392)249(436)328-117-222(414)336-174(76-82-215(311)407)253(440)341-178(80-86-227(421)422)257(444)382-235(143(14)26-2)293(480)374-208(133-498-494-127-202(370-255(442)176(78-84-225(417)418)338-246(433)166(310)52-42-92-322-304(317)318)278(465)351-183(101-155-64-70-161(404)71-65-155)263(450)349-180(98-137(3)4)262(449)360-194(110-220(316)412)300(487)388-94-44-60-211(388)285(472)357-187(106-160-115-321-136-330-160)266(453)356-192(112-230(427)428)271(458)387-239(151(22)401)295(482)345-175(77-83-216(312)408)259(446)385-241(153(24)403)298(485)376-210)281(468)352-184(102-156-66-72-162(405)73-67-156)268(455)379-231(139(7)8)289(476)343-172(57-36-40-90-308)250(437)362-198(123-395)274(461)353-186(105-159-114-325-168-54-33-31-51-165(159)168)265(452)371-204-129-495-496-130-205(372-264(451)185(104-158-113-324-167-53-32-30-50-164(158)167)347-243(430)145(16)332-260(447)188(107-217(313)409)354-280(204)467)282(469)365-199(124-396)275(462)363-197(122-394)273(460)339-169(59-43-93-323-305(319)320)247(434)326-116-221(413)335-170(55-34-38-88-306)256(443)378-232(140(9)10)290(477)358-181(99-138(5)6)261(448)342-177(79-85-226(419)420)254(441)350-182(100-154-48-28-27-29-49-154)248(435)327-118-223(415)337-201/h27-33,48-51,53-54,64-75,113-115,136-153,166,169-214,231-241,324-325,392-406H,25-26,34-47,52,55-63,76-112,116-135,306-310H2,1-24H3,(H2,311,407)(H2,312,408)(H2,313,409)(H2,314,410)(H2,315,411)(H2,316,412)(H,321,330)(H,326,434)(H,327,435)(H,328,436)(H,329,475)(H,331,429)(H,332,447)(H,333,459)(H,334,464)(H,335,413)(H,336,414)(H,337,415)(H,338,433)(H,339,460)(H,340,454)(H,341,440)(H,342,448)(H,343,476)(H,344,479)(H,345,482)(H,346,481)(H,347,430)(H,348,431)(H,349,450)(H,350,441)(H,351,465)(H,352,468)(H,353,461)(H,354,467)(H,355,466)(H,356,453)(H,357,472)(H,358,477)(H,359,478)(H,360,449)(H,361,483)(H,362,437)(H,363,462)(H,364,470)(H,365,469)(H,366,473)(H,367,474)(H,368,438)(H,369,439)(H,370,442)(H,371,452)(H,372,451)(H,373,471)(H,374,480)(H,375,484)(H,376,485)(H,377,416)(H,378,443)(H,379,455)(H,380,463)(H,381,445)(H,382,444)(H,383,432)(H,384,457)(H,385,446)(H,386,456)(H,387,458)(H,417,418)(H,419,420)(H,421,422)(H,423,424)(H,425,426)(H,427,428)(H,490,491)(H4,317,318,322)(H4,319,320,323)/t142-,143-,144-,145-,146-,147-,148+,149+,150+,151+,152+,153+,166-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,231-,232-,233-,234-,235-,236-,237-,238-,239-,240-,241-/m0/s1

InChIKey

VLKWCUBWIFHGLB-GFYSSRGUSA-N

Compound name

(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19R)-19-[[(3R,8R,11S,14S,17S,20S,26S,29S,32S,35S,38S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(1R,2aR,4S,7S,9aS,10S,12aS,13S,15aS,16S,19R,21aS,22S,24aS,25S,28S,31R,34S,37S,40S,46S,49S,52S,55S,58S,64R,69R,72S,75S,78S,81S,84S,87S,93S,96S,99S)-10,46-bis(4-aminobutyl)-2a-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-22,93-bis(2-amino-2-oxoethyl)-15a,75-bis(3-amino-3-oxopropyl)-58-benzyl-9a-[(2S)-butan-2-yl]-40-(3-carbamimidamidopropyl)-12a,55-bis(2-carboxyethyl)-81-(carboxymethyl)-72,78-bis[(1R)-1-hydroxyethyl]-13,21a,34,37-tetrakis(hydroxymethyl)-4,99-bis[(4-hydroxyphenyl)methyl]-84-(1H-imidazol-5-ylmethyl)-16,28-bis(1H-indol-3-ylmethyl)-25-methyl-52,96-bis(2-methylpropyl)-1a,2,5,8,8a,11,11a,14,14a,17,17a,20,20a,23,23a,26,29,29a,32,35,38,41,44,47,50,53,56,59,62,71,74,77,80,83,86,92,95,98-octatriacontaoxo-7,49-di(propan-2-yl)-4a,5a,31a,32a,66,67-hexathia-a,3,6,7a,9,10a,12,13a,15,16a,18,19a,21,22a,24,27,28a,30,33,36,39,42,45,48,51,54,57,60,63,70,73,76,79,82,85,91,94,97-octatriacontazapentacyclo[67.37.23.419,31.087,91.0124,128]tritriacontahectane-64-carbonyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-11-(4-aminobutyl)-29-(2-amino-2-oxoethyl)-14-[(2S)-butan-2-yl]-17-(2-carboxyethyl)-20,26-bis[(1R)-1-hydroxyethyl]-35-(hydroxymethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-32-propan-2-yl-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontane-8-carbonyl]amino]-7-(4-aminobutyl)-10-(carboxymethyl)-16-(hydroxymethyl)-13-methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

Related CIDs

• CID 129010952