2-azanyl-2-[3-[bis(azanyl)methylideneamino]propyl]-3-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 2-azanyl-2-[3-[bis(azanyl)methylideneamino]propyl]-3-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-amino-4-(benzyloxycarbonylamino)-2-(3-guanidinopropyl)-3-oxo-pentanoic acid CAS Name: 2-amino-2-[3-(diaminomethylideneamino)propyl]-3-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 2-amino-2-[3-(diaminomethylideneamino)propyl]-3-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-amino-4-(benzyloxycarbonylamino)-2-(3-guanidinopropyl)-3-keto-valeric acid Formula: C17H25N5O5 MolecularWeight: 379.4109

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(CCCN=C(N)N)(C(=O)O)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)C(CCCN=C(N)N)(C(=O)O)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H25N5O5/c1-11(22-16(26)27-10-12-6-3-2-4-7-12)13(23)17(20,14(24)25)8-5-9-21-15(18)19/h2-4,6-7,11H,5,8-10,20H2,1H3,(H,22,26)(H,24,25)(H4,18,19,21)