methyl (2S)-2-[4-(cyclohexylcarbamoylamino)butanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[4-(cyclohexylcarbamoylamino)butanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[4-(cyclohexylcarbamoylamino)butanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[4-[[(cyclohexylamino)-oxomethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[4-(cyclohexylcarbamoylamino)butanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[4-(cyclohexylcarbamoylamino)butanoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCCNC(=O)NC2CCCCC2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCNC(=O)NC2CCCCC2

InChI

InChI=1S/C21H31N3O4/c1-28-20(26)18(15-16-9-4-2-5-10-16)24-19(25)13-8-14-22-21(27)23-17-11-6-3-7-12-17/h2,4-5,9-10,17-18H,3,6-8,11-15H2,1H3,(H,24,25)(H2,22,23,27)/t18-/m0/s1