2-[[3-cyclohexyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate

Systemtic Name: 2-[[3-cyclohexyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-cyclohexyl-propanoyl]amino]butanoate CAS Name: 2-[[3-cyclohexyl-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]butanoate IUPAC Name: 2-[[3-cyclohexyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-cyclohexyl-propanoyl]amino]butyrate Formula: C21H29N2O5- MolecularWeight: 389.46536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])NC(=O)C(CC1CCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)[O-])NC(=O)C(CC1CCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O5/c1-2-17(20(25)26)22-19(24)18(13-15-9-5-3-6-10-15)23-21(27)28-14-16-11-7-4-8-12-16/h4,7-8,11-12,15,17-18H,2-3,5-6,9-10,13-14H2,1H3,(H,22,24)(H,23,27)(H,25,26)/p-1