Compound C37H48N6O5S2

1,3-thiazol-5-ylmethyl N-[3-hydroxy-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

CAS: 162990-01-4

Molecular Formula	`C37H48N6O5S2`
Molecular Weight	720.9 g/mol
LogP	6.0
Topological Polar Surface Area	202.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	18
Exact Mass	720.31274
Heavy Atoms	50
Complexity	1040.0

Chemical Identifiers

CAS Number	162990-01-4
SMILES	`CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O`
InChIKey	`NCDNCNXCDXHOMX-UHFFFAOYSA-N`

📖 Product Overview

Compound C37H48N6O5S2 (CAS: 162990-01-4) is a chemical compound with molecular formula C37H48N6O5S2 and molecular weight 720.9 g/mol. Its IUPAC systematic name is 1,3-thiazol-5-ylmethyl N-[3-hydroxy-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate. LogP 6.0 Topological Polar Surface Area 202.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 18 Exact Mass 720.31274 Heavy Atoms 50 Complexity 1040.0 InChI Key: NCDNCNXCDXHOMX-UHFFFAOYSA-N. SMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O.

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