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tert-butyl N-[(2S)-6-{[(benzyloxy)carbonyl]amino}-1-hydroxyhexan-2-yl]carbamate

tert-butyl N-[(2S)-6-{[(benzyloxy)carbonyl]amino}-1-hydroxyhexan-2-yl]carbamate

CAS: 82689-20-1

Formula: C19H30N2O5

SMILES: CC(C)(C)OC(=O)N[C@H](CO)CCCCNC(=O)OCC1=CC=CC=C1

IUPAC: tert-butyl N-[(2S)-6-{[(benzyloxy)carbonyl]amino}-1-hydroxyhexan-2-yl]carbamate

InChI: InChI=1S/C19H30N2O5/c1-19(2,3)26-18(24)21-16(13-22)11-7-8-12-20-17(23)25-14-15-9-5-4-6-10-15/h4-6,9-10,16,22H,7-8,11-14H2,1-3H3,(H,20,23)(H,21,24)/t16-/m0/s1

Composition: C (62.27%), H (8.25%), N (7.64%), O (21.83%)

Molar Mass: 366.458

Atom Count: 56

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 366.215472074
Formal Charge 0
FSP3 0.58
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey MLAPMZGXJGUYNO-INIZCTEOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.5
Topological Polar Surface Area 96.89
Polarizability 38.71
Ring Count 1
Rotatable Bond Count 12

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