3-(2-azanylethanoylamino)-4-[[1-[[1-[2-[[4-[2-[[2-[2-[[2-(2-azanylethanoylamino)-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-azanylethanoylamino)-4-[[1-[[1-[2-[[4-[2-[[2-[2-[[2-(2-azanylethanoylamino)-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-aminoacetyl)amino]-4-[[2-[[1-[2-[[4-[2-[[2-[2-[[2-[(2-aminoacetyl)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-amino-1-oxoethyl)amino]-4-[[1-[[1-[2-[[4-[2-[[2-[[2-[[2-[(2-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-aminoacetyl)amino]-4-[[1-[[1-[2-[[4-[2-[[2-[2-[[2-[(2-aminoacetyl)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-(glycylamino)-4-[[2-[[1-[2-[[4-[2-[[2-[2-[[2-(glycylamino)-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: C48H68N12O16 MolecularWeight: 1069.12432

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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)CN)C(=O)C3=C(C=CC(=C3C2=O)O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=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)CN)C(=O)C3=C(C=CC(=C3C2=O)O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)CN

InChI

InChI=1S/C48H68N12O16/c1-21(2)15-27(59-43(71)23(5)55-47(75)29(17-35(65)66)57-33(63)19-49)45(73)53-13-11-51-25-7-8-26(38-37(25)41(69)39-31(61)9-10-32(62)40(39)42(38)70)52-12-14-54-46(74)28(16-22(3)4)60-44(72)24(6)56-48(76)30(18-36(67)68)58-34(64)20-50/h7-10,21-24,27-30,51-52,61-62H,11-20,49-50H2,1-6H3,(H,53,73)(H,54,74)(H,55,75)(H,56,76)(H,57,63)(H,58,64)(H,59,71)(H,60,72)(H,65,66)(H,67,68)