sodium (2S)-5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: sodium (2S)-5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: sodium (2S)-2-(benzyloxycarbonylamino)-5-guanidino-pentanoate CAS Name: sodium (2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoate IUPAC Name: sodium (2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: sodium (2S)-2-(benzyloxycarbonylamino)-5-guanidino-valerate Formula: C14H19N4NaO4 MolecularWeight: 330.31483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCN=C(N)N)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H20N4O4.Na/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17);/q;+1/p-1/t11-;/m0./s1