(2S)-2-[[4-[[[(2R)-2-azaniumylpropanoyl]amino]methyl]cyclohexyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[4-[[[(2R)-2-azaniumylpropanoyl]amino]methyl]cyclohexyl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[4-[[[(2R)-2-azaniumylpropanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-[[[(2R)-2-ammonio-1-oxopropyl]amino]methyl]cyclohexyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[4-[[[(2R)-2-azaniumylpropanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-[[[(2R)-2-ammoniopropanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-phenyl-propionate Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@H](C(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-])[NH3+]

InChI

InChI=1S/C20H29N3O4/c1-13(21)18(24)22-12-15-7-9-16(10-8-15)19(25)23-17(20(26)27)11-14-5-3-2-4-6-14/h2-6,13,15-17H,7-12,21H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t13-,15?,16?,17+/m1/s1