CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O
CAS: 57-92-1
Name: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
SMILES: CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O

Molecular Processing

Molecular formula
C21H39N7O12
Molecular weight
581.58
Exact mass
581.2657
XLogP
-8.16
TPSA
336.43
H-bond donors
12
H-bond acceptors
15
Rotatable bonds
9
Heavy atoms
40
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
15
Undefined stereo
15
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
132.92

Supplementary Information

InChIKey: UCSJYZPVAKXKNQ-HZYVHMACSA-N
Synonyme
streptomycin57-92-1StreptomycineAgrimycinStrepcenAgreptGeroxStreptomicinaStreptomycinumStreptomyzinHokko-mycinEstreptomicinaCHEBI:17076Y45QSO73OB2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-C-formyl-beta-L-lyxopentanofuranosideDTXSID4023597D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-NSC-14083D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1.fwdarw.2)-O-5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl-(1.fwdarw.4)-N,N'-bis(aminoiminomethyl)-2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidineStrepto FatolStrepto Hefa1-((1S,2R,3R,4S,5R,6R)-3-carbamimidamido-6-(((2R,3R,4R,5S)-3-(((2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl)oxy)-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy)-2,4,5-trihydroxycyclohexyl)guanidine1-[(1S,2R,3R,4S,5R,6R)-3-carbamimidamido-6-{[(2R,3R,4R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy}-2,4,5-trihydroxycyclohexyl]guanidineRefChem:6500DTXCID803597A07AA04J01GA012-((1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-((2R,3R,4R,5S)-3-((2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl)oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy-2,5,6-trihydroxycyclohexyl)guanidine200-355-3
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