2-[(4S)-4-azanyl-6-(1,2-dihydropyridin-2-yl)-1-(1,2-dioxan-3-ylsulfonylamino)-4-methanoyl-5-oxidanylidene-hexyl]guanidine

Systemtic Name: 2-[(4S)-4-azanyl-6-(1,2-dihydropyridin-2-yl)-1-(1,2-dioxan-3-ylsulfonylamino)-4-methanoyl-5-oxidanylidene-hexyl]guanidine Openeye Name: 2-[(4S)-4-amino-6-(1,2-dihydropyridin-2-yl)-1-(dioxan-3-ylsulfonylamino)-4-formyl-5-oxo-hexyl]guanidine CAS Name: 2-[(4S)-4-amino-6-(1,2-dihydropyridin-2-yl)-1-(3-dioxanylsulfonylamino)-4-formyl-5-oxohexyl]guanidine IUPAC Name: 2-[(4S)-4-amino-6-(1,2-dihydropyridin-2-yl)-1-(dioxan-3-ylsulfonylamino)-4-formyl-5-oxohexyl]guanidine Traditional Name: 2-[(4S)-4-amino-6-(1,2-dihydropyridin-2-yl)-1-(dioxan-3-ylsulfonylamino)-4-formyl-5-keto-hexyl]guanidine Formula: C17H28N6O6S MolecularWeight: 444.50582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OOC1)S(=O)(=O)NC(CCC(C=O)(C(=O)CC2C=CC=CN2)N)N=C(N)N

Isomeric SMILES

C1CC(OOC1)S(=O)(=O)NC(CC[C@](C=O)(C(=O)CC2C=CC=CN2)N)N=C(N)N

InChI

InChI=1S/C17H28N6O6S/c18-16(19)22-14(23-30(26,27)15-5-3-9-28-29-15)6-7-17(20,11-24)13(25)10-12-4-1-2-8-21-12/h1-2,4,8,11-12,14-15,21,23H,3,5-7,9-10,20H2,(H4,18,19,22)/t12?,14?,15?,17-/m0/s1