1-azanyl-3-[4-azanyl-2-[2-(4-azanylphenoxy)ethanoylamino]-4-oxidanylidene-butanoyl]-N-tert-butyl-4-chloranyl-2-oxidanyl-N-(4-phenylbutanoyl)pyrrolidine-2-carboxamide

Systemtic Name: 1-azanyl-3-[4-azanyl-2-[2-(4-azanylphenoxy)ethanoylamino]-4-oxidanylidene-butanoyl]-N-tert-butyl-4-chloranyl-2-oxidanyl-N-(4-phenylbutanoyl)pyrrolidine-2-carboxamide Openeye Name: 1-amino-3-[4-amino-2-[[2-(4-aminophenoxy)acetyl]amino]-4-oxo-butanoyl]-N-tert-butyl-4-chloro-2-hydroxy-N-(4-phenylbutanoyl)pyrrolidine-2-carboxamide CAS Name: 1-amino-3-[4-amino-2-[[2-(4-aminophenoxy)-1-oxoethyl]amino]-1,4-dioxobutyl]-N-tert-butyl-4-chloro-2-hydroxy-N-(1-oxo-4-phenylbutyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-amino-3-[4-amino-2-[[2-(4-aminophenoxy)acetyl]amino]-4-oxobutanoyl]-N-tert-butyl-4-chloro-2-hydroxy-N-(4-phenylbutanoyl)pyrrolidine-2-carboxamide Traditional Name: 1-amino-3-[4-amino-2-[[2-(4-aminophenoxy)acetyl]amino]-4-keto-butanoyl]-N-tert-butyl-4-chloro-2-hydroxy-N-(4-phenylbutanoyl)pyrrolidine-2-carboxamide Formula: C31H41ClN6O7 MolecularWeight: 645.14624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(=O)CCCC1=CC=CC=C1)C(=O)C2(C(C(CN2N)Cl)C(=O)C(CC(=O)N)NC(=O)COC3=CC=C(C=C3)N)O

Isomeric SMILES

CC(C)(C)N(C(=O)CCCC1=CC=CC=C1)C(=O)C2(C(C(CN2N)Cl)C(=O)C(CC(=O)N)NC(=O)COC3=CC=C(C=C3)N)O

InChI

InChI=1S/C31H41ClN6O7/c1-30(2,3)38(26(41)11-7-10-19-8-5-4-6-9-19)29(43)31(44)27(22(32)17-37(31)35)28(42)23(16-24(34)39)36-25(40)18-45-21-14-12-20(33)13-15-21/h4-6,8-9,12-15,22-23,27,44H,7,10-11,16-18,33,35H2,1-3H3,(H2,34,39)(H,36,40)