1-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-ethanoyl]amino]-3-methyl-butanoyl]-4-phenoxy-pyrrolidin-2-yl]carbonylamino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-ethanoyl]amino]-3-methyl-butanoyl]-4-phenoxy-pyrrolidin-2-yl]carbonylamino]cyclopropane-1-carboxylic acid Openeye Name: 1-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-acetyl]amino]-3-methyl-butanoyl]-4-phenoxy-pyrrolidine-2-carbonyl]amino]cyclopropanecarboxylic acid CAS Name: 1-[[[(2S,4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-1-oxoethyl]amino]-3-methyl-1-oxobutyl]-4-phenoxy-2-pyrrolidinyl]-oxomethyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexylacetyl]amino]-3-methylbutanoyl]-4-phenoxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid Traditional Name: 1-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-acetyl]amino]-3-methyl-butanoyl]-4-phenoxy-prolyl]amino]cyclopropanecarboxylic acid Formula: C30H42N4O7 MolecularWeight: 570.67708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2)C(=O)O)OC3=CC=CC=C3)NC(=O)C(C4CCCCC4)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NC2(CC2)C(=O)O)OC3=CC=CC=C3)NC(=O)[C@H](C4CCCCC4)NC(=O)C

InChI

InChI=1S/C30H42N4O7/c1-18(2)24(32-27(37)25(31-19(3)35)20-10-6-4-7-11-20)28(38)34-17-22(41-21-12-8-5-9-13-21)16-23(34)26(36)33-30(14-15-30)29(39)40/h5,8-9,12-13,18,20,22-25H,4,6-7,10-11,14-17H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t22-,23+,24+,25+/m1/s1