3-(aminomethyl)-1-(2-azanylethanoylamino)-2,4-bis(oxidanylidene)-5-sulfanyl-pentane-3-sulfonic acid

Systemtic Name: 3-(aminomethyl)-1-(2-azanylethanoylamino)-2,4-bis(oxidanylidene)-5-sulfanyl-pentane-3-sulfonic acid Openeye Name: 1-[(2-aminoacetyl)amino]-3-(aminomethyl)-2,4-dioxo-5-sulfanyl-pentane-3-sulfonic acid CAS Name: 3-(aminomethyl)-1-[(2-amino-1-oxoethyl)amino]-5-mercapto-2,4-dioxo-3-pentanesulfonic acid IUPAC Name: 1-[(2-aminoacetyl)amino]-3-(aminomethyl)-2,4-dioxo-5-sulfanylpentane-3-sulfonic acid Traditional Name: 3-(aminomethyl)-1-(glycylamino)-2,4-diketo-5-mercapto-pentane-3-sulfonic acid Formula: C8H15N3O6S2 MolecularWeight: 313.3512

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)NCC(=O)C(CN)(C(=O)CS)S(=O)(=O)O)N

Isomeric SMILES

C(C(=O)NCC(=O)C(CN)(C(=O)CS)S(=O)(=O)O)N

InChI

InChI=1S/C8H15N3O6S2/c9-1-7(14)11-2-5(12)8(4-10,6(13)3-18)19(15,16)17/h18H,1-4,9-10H2,(H,11,14)(H,15,16,17)