(2R)-2-[[(3S)-3-azanyl-4-(dimethylamino)-4-oxidanylidene-butyl]-ethanoyl-amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[(3S)-3-azanyl-4-(dimethylamino)-4-oxidanylidene-butyl]-ethanoyl-amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[acetyl-[(3S)-3-amino-4-(dimethylamino)-4-oxo-butyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[acetyl-[(3S)-3-amino-4-(dimethylamino)-4-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[acetyl-[(3S)-3-amino-4-(dimethylamino)-4-oxobutyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[acetyl-[(3S)-3-amino-4-(dimethylamino)-4-keto-butyl]amino]-3-phenyl-propionic acid Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCC(C(=O)N(C)C)N)C(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)N(CC[C@@H](C(=O)N(C)C)N)[C@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C17H25N3O4/c1-12(21)20(10-9-14(18)16(22)19(2)3)15(17(23)24)11-13-7-5-4-6-8-13/h4-8,14-15H,9-11,18H2,1-3H3,(H,23,24)/t14-,15+/m0/s1