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

Systemtic Name: methyl (2S)-2-[3-(cyclohexylcarbamoylamino)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-(cyclohexylcarbamoylamino)propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(cyclohexylcarbamoylamino)propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(cyclohexylcarbamoylamino)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4/c1-27-19(25)17(14-15-8-4-2-5-9-15)23-18(24)12-13-21-20(26)22-16-10-6-3-7-11-16/h2,4-5,8-9,16-17H,3,6-7,10-14H2,1H3,(H,23,24)(H2,21,22,26)/t17-/m0/s1