Nt-ii

Structural Information

Molecular Formula

C₂₈₃H₄₄₃N₉₃O₉₂S₈

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[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](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)[C@@H](C)O)CCCCN)[C@@H](C)O)[C@@H](C)O)CCC(=O)N)CO)CO)CCC(=O)N)CCC(=O)N)CC(=O)N)CC5=CN=CN5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)N)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](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)CC)[C@@H](C)O)CCCNC(=N)N)CC6=CN=CN6)CC(=O)O)CO)CC7=CNC8=CC=CC=C87)CC9=CNC1=CC=CC=C19)CCCCN)CCCCN)CC1=CC=C(C=C1)O)CC(=O)N)[C@@H](C)O)CCC(=O)O)CO)C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)CCCCN)C(C)C)CCCCN)C(C)C)CC(=O)N)CC(C)C)CC(=O)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCNC(=N)N)[C@@H](C)O)CC(=O)O)CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)O)CCCNC(=N)N)CCC(=O)O

InChI

InChI=1S/C283H443N93O92S8/c1-19-131(11)216-267(455)336-162(69-75-211(406)407)233(421)326-150(52-35-81-309-280(299)300)225(413)315-109-205(398)323-183(228(416)318-110-206(399)324-190-124-476-475-122-188(261(449)361-184-118-470-472-120-186(259(447)347-172(97-199(294)392)248(436)352-178(279(467)468)101-203(298)396)357-231(419)156(54-37-83-311-282(303)304)330-251(439)177(103-213(410)411)351-271(459)220(135(15)383)368-238(426)157(331-256(184)444)55-38-84-312-283(305)306)360-249(437)173(98-200(295)393)345-240(428)165(90-128(5)6)339-247(435)174(99-201(296)394)349-265(453)214(129(7)8)363-207(400)112-319-262(450)191-56-39-85-373(191)275(463)163(51-29-34-80-288)338-266(454)215(130(9)10)365-236(424)154(49-27-32-78-286)334-263(451)192-57-40-86-374(192)277(190)465)117-469-474-123-189-260(448)353-179(113-377)227(415)317-108-204(397)322-158(67-73-209(402)403)239(427)370-219(134(14)382)270(458)350-175(100-202(297)395)250(438)359-187(257(445)340-166(91-139-60-62-144(387)63-61-139)241(429)329-152(47-25-30-76-284)229(417)328-153(48-26-31-77-285)230(418)341-167(92-140-104-313-148-45-23-21-43-145(140)148)242(430)342-168(93-141-105-314-149-46-24-22-44-146(141)149)243(431)355-181(115-379)254(442)348-176(102-212(408)409)252(440)343-169(94-142-106-307-125-320-142)244(432)327-151(53-36-82-310-281(301)302)226(414)316-111-208(401)364-218(133(13)381)273(461)367-217(132(12)20-2)268(456)366-216)121-473-471-119-185(358-235(423)161(68-74-210(404)405)325-224(412)147(289)89-127(3)4)258(446)344-170(95-143-107-308-126-321-143)245(433)346-171(96-198(293)391)246(434)333-159(64-70-195(290)388)232(420)332-160(65-71-196(291)389)234(422)354-182(116-380)255(443)356-180(114-378)253(441)337-164(66-72-197(292)390)276(464)376-88-42-59-194(376)278(466)375-87-41-58-193(375)264(452)371-223(138(18)386)274(462)372-222(137(17)385)269(457)335-155(50-28-33-79-287)237(425)369-221(136(16)384)272(460)362-189/h21-24,43-46,60-63,104-107,125-138,147,150-194,214-223,313-314,377-387H,19-20,25-42,47-59,64-103,108-124,284-289H2,1-18H3,(H2,290,388)(H2,291,389)(H2,292,390)(H2,293,391)(H2,294,392)(H2,295,393)(H2,296,394)(H2,297,395)(H2,298,396)(H,307,320)(H,308,321)(H,315,413)(H,316,414)(H,317,415)(H,318,416)(H,319,450)(H,322,397)(H,323,398)(H,324,399)(H,325,412)(H,326,421)(H,327,432)(H,328,417)(H,329,429)(H,330,439)(H,331,444)(H,332,420)(H,333,434)(H,334,451)(H,335,457)(H,336,455)(H,337,441)(H,338,454)(H,339,435)(H,340,445)(H,341,418)(H,342,430)(H,343,440)(H,344,446)(H,345,428)(H,346,433)(H,347,447)(H,348,442)(H,349,453)(H,350,458)(H,351,459)(H,352,436)(H,353,448)(H,354,422)(H,355,431)(H,356,443)(H,357,419)(H,358,423)(H,359,438)(H,360,437)(H,361,449)(H,362,460)(H,363,400)(H,364,401)(H,365,424)(H,366,456)(H,367,461)(H,368,426)(H,369,425)(H,370,427)(H,371,452)(H,372,462)(H,402,403)(H,404,405)(H,406,407)(H,408,409)(H,410,411)(H,467,468)(H4,299,300,309)(H4,301,302,310)(H4,303,304,311)(H4,305,306,312)/t131-,132-,133+,134+,135+,136+,137+,138+,147-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,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-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-/m0/s1

InChIKey

QFVAZLQYFOWHFY-HJFPHKIUSA-N

Compound name

(4S)-5-[[(1R,2aS,4S,5aR,7S,10S,12aS,13S,15aS,16S,18aS,19S,22S,24aS,25S,28S,34S,37S,40S,43S,46S,52R,57R,60S,63S,66S,69S,72S,78S,84S,87S,90S,93S,96S,99S)-52-[[2-[[(3S,6S,9S,12S,18R,23R,26S,29S,32S,35S,41S)-23-[[(4R,7S,10S,13S,16S,19R)-4-[[(2S)-4-amino-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-7,16-bis(3-carbamimidamidopropyl)-10-(carboxymethyl)-13-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]carbamoyl]-3,9-bis(4-aminobutyl)-26,32-bis(2-amino-2-oxoethyl)-29-(2-methylpropyl)-2,5,8,11,17,25,28,31,34,37,40-undecaoxo-6,35-di(propan-2-yl)-20,21-dithia-1,4,7,10,16,24,27,30,33,36,39-undecazatricyclo[39.3.0.012,16]tetratetracontan-18-yl]amino]-2-oxoethyl]carbamoyl]-7,10,63-tris(4-aminobutyl)-12a,99-bis(2-amino-2-oxoethyl)-84,93,96-tris(3-amino-3-oxopropyl)-37,40-bis[(2S)-butan-2-yl]-28,46-bis(3-carbamimidamidopropyl)-18a,43-bis(2-carboxyethyl)-22-(carboxymethyl)-15a,34,60,66,69-pentakis[(1R)-1-hydroxyethyl]-19,24a,87,90-tetrakis(hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]-2a,25-bis(1H-imidazol-5-ylmethyl)-13,16-bis(1H-indol-3-ylmethyl)-1a,2,4a,5,8,11,11a,14,14a,17,17a,20,20a,23,23a,26,26a,29,32,35,38,41,44,47,50,59,62,65,68,71,77,83,86,89,92,95,98-heptatriacontaoxo-7a,8a,54,55-tetrathia-a,3,3a,6,9,10a,12,13a,15,16a,18,19a,21,22a,24,25a,27,30,33,36,39,42,45,48,51,58,61,64,67,70,76,82,85,88,91,94,97-heptatriacontazatetracyclo[55.52.17.072,76.078,82]hexacosahectan-5a-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 124201468