2-[(2-azanyl-3-phenyl-propanoyl)amino]-N-[2-[[4-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethyl]-4-methyl-pentanamide

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-N-[2-[[4-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethyl]-4-methyl-pentanamide Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-N-[2-[[4-[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethyl]-4-methyl-pentanamide CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-N-[2-[[4-[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-methyl-1-oxopentyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]ethyl]-4-methylpentanamide IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-N-[2-[[4-[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl]-4-methylpentanamide Traditional Name: N-[2-[[5,8-dihydroxy-9,10-diketo-4-[2-[[4-methyl-2-(phenylalanylamino)pentanoyl]amino]ethylamino]-1-anthryl]amino]ethyl]-4-methyl-2-(phenylalanylamino)valeramide Formula: C48H60N8O8 MolecularWeight: 877.0388

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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(CC3=CC=CC=C3)N)C(=O)C4=C(C=CC(=C4C2=O)O)O)NC(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

CC(C)CC(C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(CC(C)C)NC(=O)C(CC3=CC=CC=C3)N)C(=O)C4=C(C=CC(=C4C2=O)O)O)NC(=O)C(CC5=CC=CC=C5)N

InChI

InChI=1S/C48H60N8O8/c1-27(2)23-35(55-45(61)31(49)25-29-11-7-5-8-12-29)47(63)53-21-19-51-33-15-16-34(40-39(33)43(59)41-37(57)17-18-38(58)42(41)44(40)60)52-20-22-54-48(64)36(24-28(3)4)56-46(62)32(50)26-30-13-9-6-10-14-30/h5-18,27-28,31-32,35-36,51-52,57-58H,19-26,49-50H2,1-4H3,(H,53,63)(H,54,64)(H,55,61)(H,56,62)