methyl 2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-azanyl-hexanoate

Systemtic Name: methyl 2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-azanyl-hexanoate Openeye Name: methyl 2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-amino-hexanoate CAS Name: 2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-6-aminohexanoic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-6-aminohexanoate Traditional Name: 2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-amino-hexanoic acid methyl ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)OC

InChI

InChI=1S/C18H27N3O4/c1-13(22)20-16(12-14-8-4-3-5-9-14)17(23)21-15(18(24)25-2)10-6-7-11-19/h3-5,8-9,15-16H,6-7,10-12,19H2,1-2H3,(H,20,22)(H,21,23)/t15?,16-/m0/s1