methyl (2S)-2-[[2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-2-ethoxycarbothioylsulfanyl-ethanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-2-ethoxycarbothioylsulfanyl-ethanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-2-ethoxycarbothioylsulfanyl-acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[(2S)-2-benzamido-4-methyl-1-oxopentyl]amino]-2-[[ethoxy(sulfanylidene)methyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[(2S)-2-benzamido-4-methylpentanoyl]amino]-2-ethoxycarbothioylsulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-2-(ethoxycarbothioylthio)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C28H35N3O6S2 MolecularWeight: 573.724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C(CC(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=S)SC(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H35N3O6S2/c1-5-37-28(38)39-26(25(34)30-22(27(35)36-4)17-19-12-8-6-9-13-19)31-24(33)21(16-18(2)3)29-23(32)20-14-10-7-11-15-20/h6-15,18,21-22,26H,5,16-17H2,1-4H3,(H,29,32)(H,30,34)(H,31,33)/t21-,22-,26?/m0/s1