2-[[2-[[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[2-[[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[[1-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 3-hydroxy-2-[[3-phenyl-2-[(1-tyrosylprolyl)amino]propanoyl]amino]butyric acid Formula: C27H34N4O7 MolecularWeight: 526.58146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)O)N)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)O)N)O

InChI

InChI=1S/C27H34N4O7/c1-16(32)23(27(37)38)30-24(34)21(15-17-6-3-2-4-7-17)29-25(35)22-8-5-13-31(22)26(36)20(28)14-18-9-11-19(33)12-10-18/h2-4,6-7,9-12,16,20-23,32-33H,5,8,13-15,28H2,1H3,(H,29,35)(H,30,34)(H,37,38)