methyl (2S)-2-[[(2S)-2-azanylpropanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanylpropanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-6-(benzyloxycarbonylamino)hexanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-[[(2S)-2-aminopropanoyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid methyl ester Formula: C18H27N3O5 MolecularWeight: 365.42408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC)N

InChI

InChI=1S/C18H27N3O5/c1-13(19)16(22)21-15(17(23)25-2)10-6-7-11-20-18(24)26-12-14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12,19H2,1-2H3,(H,20,24)(H,21,22)/t13-,15-/m0/s1