2-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]cyclopentane-1-carboxylic acid

Systemtic Name: 2-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]cyclopentane-1-carboxylic acid Openeye Name: 2-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]amino]cyclopentanecarboxylic acid CAS Name: 2-[[[(2S)-1-[(3R)-3-amino-1-oxo-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[[(2S)-1-[(3R)-3-amino-4-phenylbutanoyl]pyrrolidine-2-carbonyl]amino]cyclopentane-1-carboxylic acid Traditional Name: 2-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]prolyl]amino]cyclopentanecarboxylic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)NC(=O)C2CCCN2C(=O)CC(CC3=CC=CC=C3)N)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C[C@@H](CC2=CC=CC=C2)N)C(=O)NC3CCCC3C(=O)O

InChI

InChI=1S/C21H29N3O4/c22-15(12-14-6-2-1-3-7-14)13-19(25)24-11-5-10-18(24)20(26)23-17-9-4-8-16(17)21(27)28/h1-3,6-7,15-18H,4-5,8-13,22H2,(H,23,26)(H,27,28)/t15-,16?,17?,18+/m1/s1