(2R)-2-[6-[3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]propanoyl]amino]propanoylamino]hexanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[6-[3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]propanoyl]amino]propanoylamino]hexanoylamino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[6-[3-[[(2S)-2-[[(2S)-2-amino-2-phenyl-acetyl]amino]propanoyl]amino]propanoylamino]hexanoylamino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[6-[[3-[[(2S)-2-[[(2S)-2-amino-1-oxo-2-phenylethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[6-[3-[[(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]propanoyl]amino]propanoylamino]hexanoylamino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[6-[3-[[(2S)-2-[[(2S)-2-amino-2-phenyl-acetyl]amino]propanoyl]amino]propanoylamino]hexanoylamino]-3-mercapto-propionic acid Formula: C23H35N5O6S MolecularWeight: 509.6189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC(=O)NCCCCCC(=O)NC(CS)C(=O)O)NC(=O)C(C1=CC=CC=C1)N

Isomeric SMILES

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

InChI

InChI=1S/C23H35N5O6S/c1-15(27-22(32)20(24)16-8-4-2-5-9-16)21(31)26-13-11-18(29)25-12-7-3-6-10-19(30)28-17(14-35)23(33)34/h2,4-5,8-9,15,17,20,35H,3,6-7,10-14,24H2,1H3,(H,25,29)(H,26,31)(H,27,32)(H,28,30)(H,33,34)/t15-,17-,20-/m0/s1