(2S)-2-[[(2S)-2-[[1-[(2R)-2-azanyl-3-sulfanyl-propanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]-4-methyl-pentanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[1-[(2R)-2-azanyl-3-sulfanyl-propanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]-4-methyl-pentanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[1-[(2R)-2-amino-3-sulfanyl-propanoyl]-4-phenyl-piperidine-4-carbonyl]amino]-4-methyl-pentanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[[1-[(2R)-2-amino-3-mercapto-1-oxopropyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[1-[(2R)-2-amino-3-sulfanylpropanoyl]-4-phenylpiperidine-4-carbonyl]amino]-4-methylpentanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[1-[(2R)-2-amino-3-mercapto-propanoyl]-4-phenyl-isonipecotoyl]amino]-4-methyl-pentanoyl]amino]propionic acid Formula: C24H36N4O5S MolecularWeight: 492.63144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)O)NC(=O)C1(CCN(CC1)C(=O)C(CS)N)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C1(CCN(CC1)C(=O)[C@H](CS)N)C2=CC=CC=C2

InChI

InChI=1S/C24H36N4O5S/c1-15(2)13-19(20(29)26-16(3)22(31)32)27-23(33)24(17-7-5-4-6-8-17)9-11-28(12-10-24)21(30)18(25)14-34/h4-8,15-16,18-19,34H,9-14,25H2,1-3H3,(H,26,29)(H,27,33)(H,31,32)/t16-,18-,19-/m0/s1