methyl (2S)-4-methyl-2-[[(2R)-3-sulfanyl-2-[(triphenylmethyl)amino]propanoyl]amino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[(2R)-3-sulfanyl-2-[(triphenylmethyl)amino]propanoyl]amino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[(2R)-3-sulfanyl-2-(tritylamino)propanoyl]amino]pentanoate CAS Name: (2S)-2-[[(2R)-3-mercapto-1-oxo-2-[(triphenylmethyl)amino]propyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[(2R)-3-sulfanyl-2-(tritylamino)propanoyl]amino]pentanoate Traditional Name: (2S)-2-[[(2R)-3-mercapto-2-(tritylamino)propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CS)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H](CS)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H34N2O3S/c1-21(2)19-25(28(33)34-3)30-27(32)26(20-35)31-29(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,21,25-26,31,35H,19-20H2,1-3H3,(H,30,32)/t25-,26-/m0/s1