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

Systemtic Name: 2-[[1-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[1-[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[1-[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[1-[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[1-[2-[[3-(4-hydroxyphenyl)-2-(phenylalanylamino)propanoyl]amino]acetyl]prolyl]amino]-3-methyl-butyric acid Formula: C30H39N5O7 MolecularWeight: 581.65996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C30H39N5O7/c1-18(2)26(30(41)42)34-29(40)24-9-6-14-35(24)25(37)17-32-28(39)23(16-20-10-12-21(36)13-11-20)33-27(38)22(31)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22-24,26,36H,6,9,14-17,31H2,1-2H3,(H,32,39)(H,33,38)(H,34,40)(H,41,42)