(2S)-2-[[(2S)-3-(3,4-dimethoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]carbonyl-[[(2S)-3-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]-1,3-thiazolidin-2-yl]carbonyl]amino]-3-naphthalen-2-yl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-3-(3,4-dimethoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]carbonyl-[[(2S)-3-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]-1,3-thiazolidin-2-yl]carbonyl]amino]-3-naphthalen-2-yl-propanoic acid Openeye Name: (2S)-2-[[(2S)-3-(3,4-dimethoxyphenyl)sulfonylthiazolidine-2-carbonyl]-[(2S)-3-[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]thiazolidine-2-carbonyl]amino]-3-(2-naphthyl)propanoic acid CAS Name: (2S)-2-[[[(2S)-3-(3,4-dimethoxyphenyl)sulfonyl-2-thiazolidinyl]-oxomethyl]-[[(2S)-3-[2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]-2-thiazolidinyl]-oxomethyl]amino]-3-(2-naphthalenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-3-(3,4-dimethoxyphenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]-[(2S)-3-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-1,3-thiazolidine-2-carbonyl]amino]-3-naphthalen-2-ylpropanoic acid Traditional Name: (2S)-2-[[(2S)-3-(3,4-dimethoxyphenyl)sulfonylthiazolidine-2-carbonyl]-[(2S)-3-[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]thiazolidine-2-carbonyl]amino]-3-(2-naphthyl)propionic acid Formula: C45H45N5O10S3 MolecularWeight: 912.0613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N3CCSC3C(=O)N(C(CC4=CC5=CC=CC=C5C=C4)C(=O)O)C(=O)C6N(CCS6)S(=O)(=O)C7=CC(=C(C=C7)OC)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N3CCS[C@H]3C(=O)N([C@@H](CC4=CC5=CC=CC=C5C=C4)C(=O)O)C(=O)[C@H]6N(CCS6)S(=O)(=O)C7=CC(=C(C=C7)OC)OC

InChI

InChI=1S/C45H45N5O10S3/c1-28-8-4-7-11-35(28)47-45(56)46-33-16-13-29(14-17-33)26-39(51)48-20-22-61-42(48)40(52)50(36(44(54)55)25-30-12-15-31-9-5-6-10-32(31)24-30)41(53)43-49(21-23-62-43)63(57,58)34-18-19-37(59-2)38(27-34)60-3/h4-19,24,27,36,42-43H,20-23,25-26H2,1-3H3,(H,54,55)(H2,46,47,56)/t36-,42-,43-/m0/s1