2-[[5-azanyl-2-[[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[5-azanyl-2-[[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[5-amino-2-[[1-(2-amino-3-phenyl-propanoyl)pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[5-amino-2-[[[1-(2-amino-1-oxo-3-phenylpropyl)-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[5-amino-2-[[1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[5-amino-5-keto-2-[(1-phenylalanylprolyl)amino]pentanoyl]amino]-3-hydroxy-butyric acid Formula: C23H33N5O7 MolecularWeight: 491.53742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)N)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)N)O

InChI

InChI=1S/C23H33N5O7/c1-13(29)19(23(34)35)27-20(31)16(9-10-18(25)30)26-21(32)17-8-5-11-28(17)22(33)15(24)12-14-6-3-2-4-7-14/h2-4,6-7,13,15-17,19,29H,5,8-12,24H2,1H3,(H2,25,30)(H,26,32)(H,27,31)(H,34,35)