3-azanyl-4-[6-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1,2-bis(2-azanyl-3-methyl-pentanoyl)-5-(2-azanyl-4-methyl-pentanoyl)-3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)indol-4-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[6-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1,2-bis(2-azanyl-3-methyl-pentanoyl)-5-(2-azanyl-4-methyl-pentanoyl)-3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)indol-4-yl]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[3-(2-amino-3-hydroxy-3-oxo-propyl)-6-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1,2-bis(2-amino-3-methyl-pentanoyl)-5-(2-amino-4-methyl-pentanoyl)indol-4-yl]-4-oxo-butanoic acid CAS Name: 3-amino-4-[3-(2-amino-3-hydroxy-3-oxopropyl)-6-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1,2-bis(2-amino-3-methyl-1-oxopentyl)-5-(2-amino-4-methyl-1-oxopentyl)-4-indolyl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[3-(2-amino-3-hydroxy-3-oxopropyl)-6-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1,2-bis(2-amino-3-methylpentanoyl)-5-(2-amino-4-methylpentanoyl)indol-4-yl]-4-oxobutanoic acid Traditional Name: 3-amino-4-[3-(2-amino-3-hydroxy-3-keto-propyl)-6-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1,2-bis(2-amino-3-methyl-pentanoyl)-5-(2-amino-4-methyl-pentanoyl)indol-4-yl]-4-keto-butyric acid Formula: C39H57N9O9 MolecularWeight: 795.92478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C1=C(C2=C(N1C(=O)C(C(C)CC)N)C=C(C(=C2C(=O)C(CC(=O)O)N)C(=O)C(CC(C)C)N)C(=O)C(CC3=CN=CN3)N)CC(C(=O)O)N)N

Isomeric SMILES

CCC(C)C(C(=O)C1=C(C2=C(N1C(=O)C(C(C)CC)N)C=C(C(=C2C(=O)C(CC(=O)O)N)C(=O)C(CC(C)C)N)C(=O)C(CC3=CN=CN3)N)CC(C(=O)O)N)N

InChI

InChI=1S/C39H57N9O9/c1-7-17(5)31(44)37(54)33-20(11-25(43)39(56)57)28-26(48(33)38(55)32(45)18(6)8-2)12-21(34(51)23(41)10-19-14-46-15-47-19)29(35(52)22(40)9-16(3)4)30(28)36(53)24(42)13-27(49)50/h12,14-18,22-25,31-32H,7-11,13,40-45H2,1-6H3,(H,46,47)(H,49,50)(H,56,57)