2-[[2-[[2-[[1-[6-azanyl-2-[[2-(2-azanylethanoylamino)-3-(4H-imidazol-4-yl)propanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[[2-[[1-[6-azanyl-2-[[2-(2-azanylethanoylamino)-3-(4H-imidazol-4-yl)propanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[2-[[1-[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[2-[[[1-[6-amino-2-[[2-[(2-amino-1-oxoethyl)amino]-3-(4H-imidazol-4-yl)-1-oxopropyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[2-[[1-[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[2-[[1-[6-amino-2-[[2-(glycylamino)-3-(4H-imidazol-4-yl)propanoyl]amino]hexanoyl]prolyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butyric acid Formula: C38H58N10O8 MolecularWeight: 782.92932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)O)NC(=O)C2CCCN2C(=O)C(CCCCN)NC(=O)C(CC3C=NC=N3)NC(=O)CN

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)O)NC(=O)C2CCCN2C(=O)C(CCCCN)NC(=O)C(CC3C=NC=N3)NC(=O)CN

InChI

InChI=1S/C38H58N10O8/c1-22(2)31(36(53)45-27(17-24-11-6-5-7-12-24)34(51)47-32(23(3)4)38(55)56)46-35(52)29-14-10-16-48(29)37(54)26(13-8-9-15-39)44-33(50)28(43-30(49)19-40)18-25-20-41-21-42-25/h5-7,11-12,20-23,25-29,31-32H,8-10,13-19,39-40H2,1-4H3,(H,43,49)(H,44,50)(H,45,53)(H,46,52)(H,47,51)(H,55,56)