methyl 2-[[(2S)-2-azanyl-5-[bis(pyridin-2-ylmethyl)amino]pentanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[(2S)-2-azanyl-5-[bis(pyridin-2-ylmethyl)amino]pentanoyl]amino]ethanoate Openeye Name: methyl 2-[[(2S)-2-amino-5-[bis(2-pyridylmethyl)amino]pentanoyl]amino]acetate CAS Name: 2-[[(2S)-2-amino-5-[bis(2-pyridinylmethyl)amino]-1-oxopentyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-amino-5-[bis(pyridin-2-ylmethyl)amino]pentanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-amino-5-[bis(2-pyridylmethyl)amino]pentanoyl]amino]acetic acid methyl ester Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C(CCCN(CC1=CC=CC=N1)CC2=CC=CC=N2)N

Isomeric SMILES

COC(=O)CNC(=O)[C@H](CCCN(CC1=CC=CC=N1)CC2=CC=CC=N2)N

InChI

InChI=1S/C20H27N5O3/c1-28-19(26)13-24-20(27)18(21)9-6-12-25(14-16-7-2-4-10-22-16)15-17-8-3-5-11-23-17/h2-5,7-8,10-11,18H,6,9,12-15,21H2,1H3,(H,24,27)/t18-/m0/s1