heptyl (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-methyl-butanoate

Systemtic Name: heptyl (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-methyl-butanoate Openeye Name: heptyl (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid heptyl ester IUPAC Name: heptyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-butyric acid heptyl ester Formula: C21H34N2O3 MolecularWeight: 362.50626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O3/c1-4-5-6-7-11-14-26-21(25)19(16(2)3)23-20(24)18(22)15-17-12-9-8-10-13-17/h8-10,12-13,16,18-19H,4-7,11,14-15,22H2,1-3H3,(H,23,24)/t18-,19-/m0/s1