methyl (2S)-2-[[[5-methylhexanoyl(oxidanyl)carbamoyl]-phenethyl-carbamoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[[5-methylhexanoyl(oxidanyl)carbamoyl]-phenethyl-carbamoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[[hydroxy(5-methylhexanoyl)carbamoyl]-phenethyl-carbamoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[[[hydroxy-(5-methyl-1-oxohexyl)amino]-oxomethyl]-phenethylamino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[[hydroxy(5-methylhexanoyl)carbamoyl]-phenethylcarbamoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[[hydroxy(5-methylhexanoyl)carbamoyl]-phenethyl-carbamoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C27H35N3O6 MolecularWeight: 497.5833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(=O)N(C(=O)N(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

CC(C)CCCC(=O)N(C(=O)N(CCC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)O

InChI

InChI=1S/C27H35N3O6/c1-20(2)11-10-16-24(31)30(35)27(34)29(18-17-21-12-6-4-7-13-21)26(33)28-23(25(32)36-3)19-22-14-8-5-9-15-22/h4-9,12-15,20,23,35H,10-11,16-19H2,1-3H3,(H,28,33)/t23-/m0/s1