[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino] 2-(methoxycarbonylamino)-3-phenyl-propanoate

Systemtic Name: [[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino] 2-(methoxycarbonylamino)-3-phenyl-propanoate Openeye Name: [(2-guanidinobenzoyl)amino] 2-(methoxycarbonylamino)-3-phenyl-propanoate CAS Name: 2-(methoxycarbonylamino)-3-phenylpropanoic acid [[[2-(diaminomethylideneamino)phenyl]-oxomethyl]amino] ester IUPAC Name: [[2-(diaminomethylideneamino)benzoyl]amino] 2-(methoxycarbonylamino)-3-phenylpropanoate Traditional Name: 2-(carbomethoxyamino)-3-phenyl-propionic acid [(2-guanidinobenzoyl)amino] ester Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CC1=CC=CC=C1)C(=O)ONC(=O)C2=CC=CC=C2N=C(N)N

Isomeric SMILES

COC(=O)NC(CC1=CC=CC=C1)C(=O)ONC(=O)C2=CC=CC=C2N=C(N)N

InChI

InChI=1S/C19H21N5O5/c1-28-19(27)23-15(11-12-7-3-2-4-8-12)17(26)29-24-16(25)13-9-5-6-10-14(13)22-18(20)21/h2-10,15H,11H2,1H3,(H,23,27)(H,24,25)(H4,20,21,22)