Pnatar-transportan-22

Structural Information

Molecular Formula

C₂₉₀H₄₀₃N₁₁₉O₇₉S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CSSC[C@@H](C(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)N)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN2C=CC(=NC2=O)N)C(=O)CN3C=C(C(=O)NC3=O)C)C(=O)CN4C=NC5=C(N=CN=C54)N)C(=O)CN6C=NC7=C6N=C(NC7=O)N)C(=O)CN8C=NC9=C(N=CN=C98)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=C(C(=O)NC1=O)C)NC(=O)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CN

InChI

InChI=1S/C290H403N119O79S2/c1-24-158(14)234(274(475)358-187(99-198(301)415)270(471)355-180(92-155(8)9)264(465)349-176(34-28-30-50-292)261(462)343-166(22)258(459)351-179(91-154(6)7)263(464)344-164(20)256(457)341-165(21)257(458)350-177(244(306)451)89-152(2)3)367-273(474)190(360-262(463)175(33-27-29-49-291)346-201(418)103-328-259(460)178(90-153(4)5)352-265(466)181(93-156(10)11)353-267(468)183(95-168-35-39-171(412)40-36-168)348-202(419)102-327-255(456)163(19)342-272(473)188(140-410)359-271(472)186(98-197(300)414)357-266(467)182(94-157(12)13)354-268(469)184(96-169-37-41-172(413)42-38-169)356-269(470)185(347-200(417)100-293)97-170-101-326-174-32-26-25-31-173(170)174)142-490-489-141-189(345-167(23)411)260(461)325-66-88-393(227(444)133-403-107-162(18)254(455)377-290(403)488)123-217(434)316-57-79-384(223(440)129-399-72-48-196(299)366-286(399)484)111-205(422)311-52-74-380(219(436)125-395-68-44-192(295)362-282(395)480)110-204(421)312-53-75-381(220(437)126-396-69-45-193(296)363-283(396)481)113-207(424)319-60-82-387(228(445)134-404-146-335-235-241(303)329-143-332-245(235)404)119-213(430)323-64-86-392(233(450)139-409-151-340-240-250(409)370-280(309)373-277(240)478)122-216(433)324-65-87-390(231(448)137-407-149-338-238-248(407)368-278(307)371-275(238)476)120-214(431)315-56-78-383(222(439)128-398-71-47-195(298)365-285(398)483)112-206(423)317-58-80-385(225(442)131-401-105-160(16)252(453)375-288(401)486)115-209(426)314-55-77-382(221(438)127-397-70-46-194(297)364-284(397)482)114-208(425)320-61-83-388(229(446)135-405-147-336-236-242(304)330-144-333-246(236)405)118-212(429)322-63-85-391(232(449)138-408-150-339-239-249(408)369-279(308)372-276(239)477)121-215(432)321-62-84-389(230(447)136-406-148-337-237-243(305)331-145-334-247(237)406)117-211(428)318-59-81-386(226(443)132-402-106-161(17)253(454)376-289(402)487)116-210(427)313-54-76-379(218(435)124-394-67-43-191(294)361-281(394)479)109-203(420)310-51-73-378(108-199(302)416)224(441)130-400-104-159(15)251(452)374-287(400)485/h25-26,31-32,35-48,67-72,101,104-107,143-158,163-166,175-190,234,326,410,412-413H,24,27-30,33-34,49-66,73-100,102-103,108-142,291-293H2,1-23H3,(H2,300,414)(H2,301,415)(H2,302,416)(H2,306,451)(H,310,420)(H,311,422)(H,312,421)(H,313,427)(H,314,426)(H,315,431)(H,316,434)(H,317,423)(H,318,428)(H,319,424)(H,320,425)(H,321,432)(H,322,429)(H,323,430)(H,324,433)(H,325,461)(H,327,456)(H,328,460)(H,341,457)(H,342,473)(H,343,462)(H,344,464)(H,345,411)(H,346,418)(H,347,417)(H,348,419)(H,349,465)(H,350,458)(H,351,459)(H,352,466)(H,353,468)(H,354,469)(H,355,471)(H,356,470)(H,357,467)(H,358,475)(H,359,472)(H,360,463)(H,367,474)(H2,294,361,479)(H2,295,362,480)(H2,296,363,481)(H2,297,364,482)(H2,298,365,483)(H2,299,366,484)(H2,303,329,332)(H2,304,330,333)(H2,305,331,334)(H,374,452,485)(H,375,453,486)(H,376,454,487)(H,377,455,488)(H3,307,368,371,476)(H3,308,369,372,477)(H3,309,370,373,478)/t158-,163-,164-,165-,166-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,234-/m0/s1

InChIKey

USKXZFRPYOHXFH-MREKHVNVSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2R)-3-[[(2R)-2-acetamido-3-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[(2-amino-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-3-oxopropyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]butanediamide

Related CIDs

• CID 16134047