[3-[(2R)-1-[(2R)-2-[(3-aminocarbonylphenyl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoyl]pyrrolidin-2-yl]-4-propan-2-ylsulfonyl-phenyl]carbamic acid

Systemtic Name: [3-[(2R)-1-[(2R)-2-[(3-aminocarbonylphenyl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoyl]pyrrolidin-2-yl]-4-propan-2-ylsulfonyl-phenyl]carbamic acid Openeye Name: [3-[(2R)-1-[(2R)-2-(3-carbamoylanilino)-2-(3-ethoxy-4-isopropoxy-phenyl)acetyl]pyrrolidin-2-yl]-4-isopropylsulfonyl-phenyl]carbamic acid CAS Name: [3-[(2R)-1-[(2R)-2-(3-carbamoylanilino)-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-oxoethyl]-2-pyrrolidinyl]-4-propan-2-ylsulfonylphenyl]carbamic acid IUPAC Name: [3-[(2R)-1-[(2R)-2-(3-carbamoylanilino)-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetyl]pyrrolidin-2-yl]-4-propan-2-ylsulfonylphenyl]carbamic acid Traditional Name: [3-[(2R)-1-[(2R)-2-(3-carbamoylanilino)-2-(3-ethoxy-4-isopropoxy-phenyl)acetyl]pyrrolidin-2-yl]-4-isopropylsulfonyl-phenyl]carbamic acid Formula: C34H42N4O8S MolecularWeight: 666.78428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)N2CCCC2C3=C(C=CC(=C3)NC(=O)O)S(=O)(=O)C(C)C)NC4=CC=CC(=C4)C(=O)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C(=O)N2CCC[C@@H]2C3=C(C=CC(=C3)NC(=O)O)S(=O)(=O)C(C)C)NC4=CC=CC(=C4)C(=O)N)OC(C)C

InChI

InChI=1S/C34H42N4O8S/c1-6-45-29-18-22(12-14-28(29)46-20(2)3)31(36-24-10-7-9-23(17-24)32(35)39)33(40)38-16-8-11-27(38)26-19-25(37-34(41)42)13-15-30(26)47(43,44)21(4)5/h7,9-10,12-15,17-21,27,31,36-37H,6,8,11,16H2,1-5H3,(H2,35,39)(H,41,42)/t27-,31-/m1/s1