(2S)-2-[[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-piperidine-4-carbonyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[1-[(2S)-2-acetamido-6-amino-1-oxohexyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[1-[(2S)-2-acetamido-6-aminohexanoyl]-4-phenylpiperidine-4-carbonyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-isonipecotoyl]amino]glutaric acid Formula: C25H36N4O7 MolecularWeight: 504.57594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CCCCN)C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C25H36N4O7/c1-17(30)27-19(9-5-6-14-26)22(33)29-15-12-25(13-16-29,18-7-3-2-4-8-18)24(36)28-20(23(34)35)10-11-21(31)32/h2-4,7-8,19-20H,5-6,9-16,26H2,1H3,(H,27,30)(H,28,36)(H,31,32)(H,34,35)/t19-,20-/m0/s1