methyl (2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C16H25N3O3 MolecularWeight: 307.388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCN)N

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3/c1-22-16(21)14(11-12-7-3-2-4-8-12)19-15(20)13(18)9-5-6-10-17/h2-4,7-8,13-14H,5-6,9-11,17-18H2,1H3,(H,19,20)/t13-,14-/m0/s1