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(4R)-4-carbamoyl-4-[(2S)-2-(2-{[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido)propanamido]butanoic acid

(4R)-4-carbamoyl-4-[(2S)-2-(2-{[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido)propanamido]butanoic acid

CAS: 53678-77-6

Formula: C19H32N4O11

SMILES: C[C@H](NC(=O)C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(N)=O

IUPAC: (4R)-4-carbamoyl-4-[(2S)-2-(2-{[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido)propanamido]butanoic acid

InChI: InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8?,10+,11+,13+,14+,15+,19-/m0/s1

Composition: C (46.34%), H (6.55%), N (11.38%), O (35.74%)

Molar Mass: 492.482

Atom Count: 66

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 8
Exact Mass 492.206757866
Formal Charge 0
FSP3 0.74
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 11
Hydrogen Bond Donor Count 8
InChIKey BSOQXXWZTUDTEL-LLAKEARDSA-N
Lipinski's Rule of Five
Molar Refractivity 109.56
Topological Polar Surface Area 246.84
Polarizability 44.1
Ring Count 1
Rotatable Bond Count 12

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98% <4 Days 53678-77-6 $733.82$733.82
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