(4S)-4-[[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]-5-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-piperidine-4-carbonyl]amino]-5-amino-5-oxo-pentanoic acid CAS Name: (4S)-4-[[[1-[(2S)-2-acetamido-6-amino-1-oxohexyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]-5-amino-5-oxopentanoic acid IUPAC Name: (4S)-4-[[1-[(2S)-2-acetamido-6-aminohexanoyl]-4-phenylpiperidine-4-carbonyl]amino]-5-amino-5-oxopentanoic acid Traditional Name: (4S)-4-[[1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-isonipecotoyl]amino]-5-amino-5-keto-valeric acid Formula: C25H37N5O6 MolecularWeight: 503.59118

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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)N

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)N

InChI

InChI=1S/C25H37N5O6/c1-17(31)28-20(9-5-6-14-26)23(35)30-15-12-25(13-16-30,18-7-3-2-4-8-18)24(36)29-19(22(27)34)10-11-21(32)33/h2-4,7-8,19-20H,5-6,9-16,26H2,1H3,(H2,27,34)(H,28,31)(H,29,36)(H,32,33)/t19-,20-/m0/s1