4-[[[(2S)-1-(2-azanyl-2-cyclohexyl-ethanoyl)pyrrolidin-2-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[(2S)-1-(2-azanyl-2-cyclohexyl-ethanoyl)pyrrolidin-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[(2S)-1-(2-amino-2-cyclohexyl-acetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[(2S)-1-(2-amino-2-cyclohexyl-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(2S)-1-(2-amino-2-cyclohexylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(2S)-1-(2-amino-2-cyclohexyl-acetyl)prolyl]amino]methyl]benzoic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)C(=O)O)N

Isomeric SMILES

C1CCC(CC1)C(C(=O)N2CCC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=O)O)N

InChI

InChI=1S/C21H29N3O4/c22-18(15-5-2-1-3-6-15)20(26)24-12-4-7-17(24)19(25)23-13-14-8-10-16(11-9-14)21(27)28/h8-11,15,17-18H,1-7,12-13,22H2,(H,23,25)(H,27,28)/t17-,18?/m0/s1