4-(2-azanylethanoylamino)-7-[bis(azanyl)methylideneamino]-3-oxidanylidene-2-(phenylmethyl)heptanoic acid

Systemtic Name: 4-(2-azanylethanoylamino)-7-[bis(azanyl)methylideneamino]-3-oxidanylidene-2-(phenylmethyl)heptanoic acid Openeye Name: 4-[(2-aminoacetyl)amino]-2-benzyl-7-guanidino-3-oxo-heptanoic acid CAS Name: 4-[(2-amino-1-oxoethyl)amino]-7-(diaminomethylideneamino)-3-oxo-2-(phenylmethyl)heptanoic acid IUPAC Name: 4-[(2-aminoacetyl)amino]-2-benzyl-7-(diaminomethylideneamino)-3-oxoheptanoic acid Traditional Name: 2-benzyl-4-(glycylamino)-7-guanidino-3-keto-enanthic acid Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O4/c18-10-14(23)22-13(7-4-8-21-17(19)20)15(24)12(16(25)26)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,18H2,(H,22,23)(H,25,26)(H4,19,20,21)