(2R)-2-formamido-3-phenyl-propanoic acid; (2S)-2-[(phenylmethyl)amino]butan-1-ol

Systemtic Name: (2R)-2-formamido-3-phenyl-propanoic acid; (2S)-2-[(phenylmethyl)amino]butan-1-ol Openeye Name: (2S)-2-(benzylamino)butan-1-ol; (2R)-2-formamido-3-phenyl-propanoic acid CAS Name: (2R)-2-formamido-3-phenylpropanoic acid; (2S)-2-[(phenylmethyl)amino]-1-butanol IUPAC Name: (2S)-2-(benzylamino)butan-1-ol; (2R)-2-formamido-3-phenylpropanoic acid Traditional Name: (2S)-2-(benzylamino)butan-1-ol; (2R)-2-formamido-3-phenyl-propionic acid Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=CC=CC=C1.C1=CC=C(C=C1)CC(C(=O)O)NC=O

Isomeric SMILES

CC[C@@H](CO)NCC1=CC=CC=C1.C1=CC=C(C=C1)C[C@H](C(=O)O)NC=O

InChI

InChI=1S/C11H17NO.C10H11NO3/c1-2-11(9-13)12-8-10-6-4-3-5-7-10;12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h3-7,11-13H,2,8-9H2,1H3;1-5,7,9H,6H2,(H,11,12)(H,13,14)/t11-;9-/m01/s1