1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate

1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate

CAS: 144164-11-4

Formula: C23H27N3O3S

SMILES: N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)CC1=CC=CC=C1

IUPAC: (1,3-thiazol-5-yl)methyl N-[(2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate

InChI: InChI=1S/C23H27N3O3S/c24-19(11-17-7-3-1-4-8-17)13-22(27)21(12-18-9-5-2-6-10-18)26-23(28)29-15-20-14-25-16-30-20/h1-10,14,16,19,21-22,27H,11-13,15,24H2,(H,26,28)/t19-,21-,22-/m0/s1

Composition: C (64.92%), H (6.40%), N (9.87%), O (11.28%), S (7.53%)

Molar Mass: 425.55

Atom Count: 57

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	3
Exact Mass	425.177312915
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	HBPTXDXGWDVDON-BVSLBCMMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.44
Topological Polar Surface Area	97.47
Polarizability	45.99
Ring Count	3
Rotatable Bond Count	11

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