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2-[(tert-butoxycarbonyl)amino]-3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl}propanoic acid

2-[(tert-butoxycarbonyl)amino]-3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl}propanoic acid

CAS: 137255-40-4

Formula: C17H29N3O10

SMILES: CC(=O)NC1C(O)C(O)C(CO)OC1NC(=O)CC(NC(=O)OC(C)(C)C)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl}propanoic acid

InChI: InChI=1/C17H29N3O10/c1-7(22)18-11-13(25)12(24)9(6-21)29-14(11)20-10(23)5-8(15(26)27)19-16(28)30-17(2,3)4/h8-9,11-14,21,24-25H,5-6H2,1-4H3,(H,18,22)(H,19,28)(H,20,23)(H,26,27)

Composition: C (46.89%), H (6.71%), N (9.65%), O (36.74%)

Molar Mass: 435.43

Atom Count: 59

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 6
Exact Mass 435.185294146
Formal Charge 0
FSP3 0.76
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 7
InChIKey YVKMLCHQJOPFTE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 96.89
Topological Polar Surface Area 203.75
Polarizability 39.14
Ring Count 1
Rotatable Bond Count 9

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Purity LeadTime CAS UnitPrice
98% <10 Days 137255-40-4 Quote Only
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <14 Days 137255-40-4 Quote Only