(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-5-[[azanyl(nitramido)methylidene]amino]pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-azanyl-5-[[azanyl(nitramido)methylidene]amino]pentanoyl]amino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-amino-5-[[amino(nitramido)methylene]amino]pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-1-oxopentyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-amino-5-[[amino(nitramido)methylene]amino]pentanoyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C22H28N6O5 MolecularWeight: 456.49492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N

InChI

InChI=1S/C22H28N6O5/c23-18(12-7-13-25-22(24)27-28(31)32)20(29)26-19(14-16-8-3-1-4-9-16)21(30)33-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,23H2,(H,26,29)(H3,24,25,27)/t18-,19-/m0/s1