methyl (2S)-2-[[(2S)-2-(2-azidoethanoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-(2-azidoethanoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[(2-azidoacetyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[(2-azido-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[(2-azidoacetyl)amino]-3-phenylpropanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[(2-azidoacetyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)CN=[N+]=[N-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN=[N+]=[N-]

InChI

InChI=1S/C17H23N5O4/c1-11(2)15(17(25)26-3)21-16(24)13(20-14(23)10-19-22-18)9-12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3,(H,20,23)(H,21,24)/t13-,15-/m0/s1