(3S)-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxidanylidene-5-sulfanyl-pentanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxidanylidene-5-sulfanyl-pentanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoyl]amino]-4-oxo-5-sulfanyl-pentanoic acid CAS Name: (3S)-5-mercapto-3-[[(2S)-2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1-oxopropyl]amino]-4-oxopentanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxo-5-sulfanylpentanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoyl]amino]-4-keto-5-mercapto-valeric acid Formula: C21H29N3O7S MolecularWeight: 467.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CS)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CS)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H29N3O7S/c1-12(2)18(24-21(30)31-10-14-7-5-4-6-8-14)20(29)22-13(3)19(28)23-15(9-17(26)27)16(25)11-32/h4-8,12-13,15,18,32H,9-11H2,1-3H3,(H,22,29)(H,23,28)(H,24,30)(H,26,27)/t13-,15-,18-/m0/s1