(2S)-2-[[(2S)-6-methylheptan-2-yl]carbamoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[(2S)-6-methylheptan-2-yl]carbamoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(1S)-1,5-dimethylhexyl]carbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[[(2S)-6-methylheptan-2-yl]amino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S)-6-methylheptan-2-yl]carbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(1S)-1,5-dimethylhexyl]carbamoylamino]-3-phenyl-propionate Formula: C18H27N2O3- MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-13(2)8-7-9-14(3)19-18(23)20-16(17(21)22)12-15-10-5-4-6-11-15/h4-6,10-11,13-14,16H,7-9,12H2,1-3H3,(H,21,22)(H2,19,20,23)/p-1/t14-,16-/m0/s1