methyl (2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-6-(benzyloxycarbonylamino)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-(methylthio)-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-6-(benzyloxycarbonylamino)-2-[[(2S)-2-[[(2S)-2-formamido-4-(methylthio)butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid methyl ester Formula: C30H40N4O7S MolecularWeight: 600.7262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCSC)NC=O

Isomeric SMILES

COC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCSC)NC=O

InChI

InChI=1S/C30H40N4O7S/c1-40-29(38)25(15-9-10-17-31-30(39)41-20-23-13-7-4-8-14-23)33-28(37)26(19-22-11-5-3-6-12-22)34-27(36)24(32-21-35)16-18-42-2/h3-8,11-14,21,24-26H,9-10,15-20H2,1-2H3,(H,31,39)(H,32,35)(H,33,37)(H,34,36)/t24-,25-,26-/m0/s1