3-[[2-[[2-[[6-azanyl-2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[4-azanyl-1,4-bis(oxidanylidene)-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-[[2-[[6-azanyl-2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[4-azanyl-1,4-bis(oxidanylidene)-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[[2-[[6-amino-2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[3-amino-1-[(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]-3-oxo-propyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[6-amino-2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-[[4-amino-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[2-[[6-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[4-amino-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[2-[[6-amino-2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[3-amino-1-[(2-hydroxy-2-keto-1-methyl-ethyl)carbamoyl]-3-keto-propyl]amino]-4-keto-butyric acid Formula: C41H66N10O13 MolecularWeight: 907.02194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)O)N

InChI

InChI=1S/C41H66N10O13/c1-21(2)15-25(43)34(56)51-31(20-52)40(62)46-26(13-9-10-14-42)35(57)47-27(16-22(3)4)37(59)48-28(17-24-11-7-6-8-12-24)38(60)50-30(19-33(54)55)39(61)49-29(18-32(44)53)36(58)45-23(5)41(63)64/h6-8,11-12,21-23,25-31,52H,9-10,13-20,42-43H2,1-5H3,(H2,44,53)(H,45,58)(H,46,62)(H,47,57)(H,48,59)(H,49,61)(H,50,60)(H,51,56)(H,54,55)(H,63,64)