(2S)-2-[[1-[(2S)-2-azanyl-3-methyl-butanoyl]piperidin-4-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[1-[(2S)-2-azanyl-3-methyl-butanoyl]piperidin-4-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[1-[(2S)-2-amino-3-methyl-butanoyl]piperidine-4-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[1-[(2S)-2-amino-3-methyl-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[1-[(2S)-2-amino-3-methyl-butanoyl]isonipecotoyl]amino]-3-phenyl-propionic acid Formula: C20H29N3O4 MolecularWeight: 375.46196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N

InChI

InChI=1S/C20H29N3O4/c1-13(2)17(21)19(25)23-10-8-15(9-11-23)18(24)22-16(20(26)27)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12,21H2,1-2H3,(H,22,24)(H,26,27)/t16-,17-/m0/s1