methyl (2S)-2-[(3S)-4-[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(3S)-4-[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(3S)-3-benzyl-4-[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]-2-oxo-piperazin-1-yl]-3-phenyl-propanoate CAS Name: (2S)-2-[(3S)-4-[(2S)-2-[[(2S)-2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]-2-oxo-3-(phenylmethyl)-1-piperazinyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3S)-3-benzyl-4-[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]-2-oxopiperazin-1-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[(3S)-3-benzyl-4-[(2S)-2-[[(2S)-2-formamido-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]-2-keto-piperazino]-3-phenyl-propionic acid methyl ester Formula: C33H44N4O6S MolecularWeight: 624.79066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(C(=O)C1CC2=CC=CC=C2)C(CC3=CC=CC=C3)C(=O)OC)NC(=O)C(CCSC)NC=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCN(C(=O)[C@@H]1CC2=CC=CC=C2)[C@@H](CC3=CC=CC=C3)C(=O)OC)NC(=O)[C@H](CCSC)NC=O

InChI

InChI=1S/C33H44N4O6S/c1-23(2)19-27(35-30(39)26(34-22-38)15-18-44-4)31(40)36-16-17-37(32(41)28(36)20-24-11-7-5-8-12-24)29(33(42)43-3)21-25-13-9-6-10-14-25/h5-14,22-23,26-29H,15-21H2,1-4H3,(H,34,38)(H,35,39)/t26-,27-,28-,29-/m0/s1