4-azanyl-7-[bis(azanyl)methylideneamino]-2-(ethoxycarbonylamino)-2-(2-methylsulfanylethyl)-3-oxidanylidene-heptanoic acid

Systemtic Name: 4-azanyl-7-[bis(azanyl)methylideneamino]-2-(ethoxycarbonylamino)-2-(2-methylsulfanylethyl)-3-oxidanylidene-heptanoic acid Openeye Name: 4-amino-2-(ethoxycarbonylamino)-7-guanidino-2-(2-methylsulfanylethyl)-3-oxo-heptanoic acid CAS Name: 4-amino-7-(diaminomethylideneamino)-2-(ethoxycarbonylamino)-2-[2-(methylthio)ethyl]-3-oxoheptanoic acid IUPAC Name: 4-amino-7-(diaminomethylideneamino)-2-(ethoxycarbonylamino)-2-(2-methylsulfanylethyl)-3-oxoheptanoic acid Traditional Name: 4-amino-2-(carbethoxyamino)-7-guanidino-3-keto-2-[2-(methylthio)ethyl]enanthic acid Formula: C14H27N5O5S MolecularWeight: 377.45968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CCSC)(C(=O)C(CCCN=C(N)N)N)C(=O)O

Isomeric SMILES

CCOC(=O)NC(CCSC)(C(=O)C(CCCN=C(N)N)N)C(=O)O

InChI

InChI=1S/C14H27N5O5S/c1-3-24-13(23)19-14(11(21)22,6-8-25-2)10(20)9(15)5-4-7-18-12(16)17/h9H,3-8,15H2,1-2H3,(H,19,23)(H,21,22)(H4,16,17,18)