N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]piperidin-1-yl]ethanamide

Systemtic Name: N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]piperidin-1-yl]ethanamide Openeye Name: 2-[(3S)-3-(benzylsulfonylamino)-2-oxo-1-piperidyl]-N-[(1S)-1-formyl-4-guanidino-butyl]acetamide CAS Name: N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[(3S)-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-piperidinyl]acetamide IUPAC Name: 2-[(3S)-3-(benzylsulfonylamino)-2-oxopiperidin-1-yl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]acetamide Traditional Name: 2-[(3S)-3-(benzylsulfonylamino)-2-keto-piperidino]-N-[(1S)-1-formyl-4-guanidino-butyl]acetamide Formula: C20H30N6O5S MolecularWeight: 466.5544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CC(=O)NC(CCCN=C(N)N)C=O)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1C[C@@H](C(=O)N(C1)CC(=O)N[C@@H](CCCN=C(N)N)C=O)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H30N6O5S/c21-20(22)23-10-4-8-16(13-27)24-18(28)12-26-11-5-9-17(19(26)29)25-32(30,31)14-15-6-2-1-3-7-15/h1-3,6-7,13,16-17,25H,4-5,8-12,14H2,(H,24,28)(H4,21,22,23)/t16-,17-/m0/s1