(2S)-5-[bis(azanyl)methylideneamino]-2-(3-sulfanylpropanoylamino)pentanoic acid

Systemtic Name: (2S)-5-[bis(azanyl)methylideneamino]-2-(3-sulfanylpropanoylamino)pentanoic acid Openeye Name: (2S)-5-guanidino-2-(3-sulfanylpropanoylamino)pentanoic acid CAS Name: (2S)-5-(diaminomethylideneamino)-2-[(3-mercapto-1-oxopropyl)amino]pentanoic acid IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-(3-sulfanylpropanoylamino)pentanoic acid Traditional Name: (2S)-5-guanidino-2-(3-mercaptopropanoylamino)valeric acid Formula: C9H18N4O3S MolecularWeight: 262.32922

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)O)NC(=O)CCS)CN=C(N)N

Isomeric SMILES

C(C[C@@H](C(=O)O)NC(=O)CCS)CN=C(N)N

InChI

InChI=1S/C9H18N4O3S/c10-9(11)12-4-1-2-6(8(15)16)13-7(14)3-5-17/h6,17H,1-5H2,(H,13,14)(H,15,16)(H4,10,11,12)/t6-/m0/s1