(3S)-1-[(2S)-2-[[(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxidanyl-propan-2-yl]amino]-2-oxidanyl-ethyl]-2-oxidanylidene-3-(sulfinoamino)piperidine

Systemtic Name: (3S)-1-[(2S)-2-[[(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxidanyl-propan-2-yl]amino]-2-oxidanyl-ethyl]-2-oxidanylidene-3-(sulfinoamino)piperidine Openeye Name: (3S)-1-[(2S)-2-[[(1S)-1-[[(3R)-1-carbamimidoyl-3-piperidyl]methyl]-2-hydroxy-ethyl]amino]-2-hydroxy-ethyl]-2-oxo-3-(sulfinoamino)piperidine CAS Name: (3S)-1-[(2S)-2-[[(2S)-1-[(3R)-1-carbamimidoyl-3-piperidinyl]-3-hydroxypropan-2-yl]amino]-2-hydroxyethyl]-2-oxo-3-(sulfinoamino)piperidine IUPAC Name: (3S)-1-[(2S)-2-[[(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-hydroxypropan-2-yl]amino]-2-hydroxyethyl]-2-oxo-3-(sulfinoamino)piperidine Traditional Name: (3S)-1-[(2S)-2-[[(1S)-1-[[(3R)-1-amidino-3-piperidyl]methyl]-2-hydroxy-ethyl]amino]-2-hydroxy-ethyl]-2-keto-3-(sulfinoamino)piperidine Formula: C16H32N6O5S MolecularWeight: 420.52748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CC(CO)NC(CN2CCCC(C2=O)NS(=O)O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=N)N)C[C@@H](CO)N[C@H](CN2CCC[C@@H](C2=O)NS(=O)O)O

InChI

InChI=1S/C16H32N6O5S/c17-16(18)22-6-1-3-11(8-22)7-12(10-23)19-14(24)9-21-5-2-4-13(15(21)25)20-28(26)27/h11-14,19-20,23-24H,1-10H2,(H3,17,18)(H,26,27)/t11-,12+,13+,14+/m1/s1