1-[1-[2-[[5-azanyl-2-[(2-butylphenyl)methoxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-[2-[[5-azanyl-2-[(2-butylphenyl)methoxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[1-[2-[[5-amino-2-[(2-butylphenyl)methoxycarbonylamino]-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[1-[2-[[5-amino-2-[[(2-butylphenyl)methoxy-oxomethyl]amino]-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-[2-[[5-amino-2-[(2-butylphenyl)methoxycarbonylamino]-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[2-[[5-amino-2-[(2-butylbenzyl)oxycarbonylamino]-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]prolyl]proline Formula: C33H49N5O8 MolecularWeight: 643.77086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1COC(=O)NC(CCC(=O)N)C(=O)NC(C(C)CC)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CCCCC1=CC=CC=C1COC(=O)NC(CCC(=O)N)C(=O)NC(C(C)CC)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C33H49N5O8/c1-4-6-11-22-12-7-8-13-23(22)20-46-33(45)35-24(16-17-27(34)39)29(40)36-28(21(3)5-2)31(42)37-18-9-14-25(37)30(41)38-19-10-15-26(38)32(43)44/h7-8,12-13,21,24-26,28H,4-6,9-11,14-20H2,1-3H3,(H2,34,39)(H,35,45)(H,36,40)(H,43,44)