methyl (2S)-2-[[(2S,4R)-1-[(E,4R)-4-azanyl-5-sulfanyl-pent-2-enyl]-4-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S,4R)-1-[(E,4R)-4-azanyl-5-sulfanyl-pent-2-enyl]-4-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(2S,4R)-1-[(E,4R)-4-amino-5-sulfanyl-pent-2-enyl]-4-[2-(4-isopropylphenyl)ethyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(2S,4R)-1-[(E,4R)-4-amino-5-mercaptopent-2-enyl]-4-[2-(4-propan-2-ylphenyl)ethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,4R)-1-[(E,4R)-4-amino-5-sulfanylpent-2-enyl]-4-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S,4R)-1-[(E,4R)-4-amino-5-mercapto-pent-2-enyl]-4-(2-p-cumenylethyl)prolyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C27H43N3O3S2 MolecularWeight: 521.77862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCC2CC(N(C2)CC=CC(CS)N)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC[C@@H]2C[C@H](N(C2)C/C=C/[C@H](CS)N)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C27H43N3O3S2/c1-19(2)22-11-9-20(10-12-22)7-8-21-16-25(30(17-21)14-5-6-23(28)18-34)26(31)29-24(13-15-35-4)27(32)33-3/h5-6,9-12,19,21,23-25,34H,7-8,13-18,28H2,1-4H3,(H,29,31)/b6-5+/t21-,23-,24+,25+/m1/s1