3-[2-(2-azanylethanoylamino)ethanoylamino]-4-[[1-[[1-[2-[[4-[2-[[2-[2-[[2-[2-(2-azanylethanoylamino)ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2-(2-azanylethanoylamino)ethanoylamino]-4-[[1-[[1-[2-[[4-[2-[[2-[2-[[2-[2-(2-azanylethanoylamino)ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-[[2-[[1-[2-[[4-[2-[[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethylcarbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-4-[[1-[[1-[2-[[4-[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]ethylamino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-[[1-[[1-[2-[[4-[2-[[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-(glycylamino)acetyl]amino]-4-[[2-[[1-[2-[[4-[2-[[2-[2-[[2-[[2-(glycylamino)acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]ethylcarbamoyl]-3-methyl-butyl]amino]-2-keto-1-methyl-ethyl]amino]-4-keto-butyric acid Formula: C52H74N14O18 MolecularWeight: 1183.22696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CN)C(=O)C3=C(C=CC(=C3C2=O)O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CN)C(=O)C3=C(C=CC(=C3C2=O)O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CN

InChI

InChI=1S/C52H74N14O18/c1-23(2)15-29(65-47(79)25(5)61-51(83)31(17-39(73)74)63-37(71)21-59-35(69)19-53)49(81)57-13-11-55-27-7-8-28(42-41(27)45(77)43-33(67)9-10-34(68)44(43)46(42)78)56-12-14-58-50(82)30(16-24(3)4)66-48(80)26(6)62-52(84)32(18-40(75)76)64-38(72)22-60-36(70)20-54/h7-10,23-26,29-32,55-56,67-68H,11-22,53-54H2,1-6H3,(H,57,81)(H,58,82)(H,59,69)(H,60,70)(H,61,83)(H,62,84)(H,63,71)(H,64,72)(H,65,79)(H,66,80)(H,73,74)(H,75,76)