hydron; (phenylmethyl) N-[(2S)-5-[bis(azanyl)methylamino]-1-oxidanylidene-1-[(3-oxidanylidene-4-sulfanyl-butan-2-yl)amino]pentan-2-yl]carbamate

Systemtic Name: hydron; (phenylmethyl) N-[(2S)-5-[bis(azanyl)methylamino]-1-oxidanylidene-1-[(3-oxidanylidene-4-sulfanyl-butan-2-yl)amino]pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-4-(diaminomethylamino)-1-[(1-methyl-2-oxo-3-sulfanyl-propyl)carbamoyl]butyl]carbamate; hydron CAS Name: N-[(2S)-5-(diaminomethylamino)-1-[(4-mercapto-3-oxobutan-2-yl)amino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester; hydron IUPAC Name: benzyl N-[(2S)-5-(diaminomethylamino)-1-oxo-1-[(3-oxo-4-sulfanylbutan-2-yl)amino]pentan-2-yl]carbamate; hydron Traditional Name: N-[(1S)-4-(diaminomethylamino)-1-[(2-keto-3-mercapto-1-methyl-propyl)carbamoyl]butyl]carbamic acid benzyl ester; hydron Formula: C18H32N5O4S+3 MolecularWeight: 414.54278

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].[H+].CC(C(=O)CS)NC(=O)C(CCCNC(N)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

[H+].[H+].[H+].CC(C(=O)CS)NC(=O)[C@H](CCCNC(N)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H29N5O4S/c1-12(15(24)11-28)22-16(25)14(8-5-9-21-17(19)20)23-18(26)27-10-13-6-3-2-4-7-13/h2-4,6-7,12,14,17,21,28H,5,8-11,19-20H2,1H3,(H,22,25)(H,23,26)/p+3/t12?,14-/m0/s1