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2-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-hydroxybutanamido)-3-[(triphenylmethyl)sulfanyl]propanoic acid

2-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-hydroxybutanamido)-3-[(triphenylmethyl)sulfanyl]propanoic acid

Formula: C41H38N2O6S

SMILES: CC(O)C(NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(=O)NC(CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(O)=O

IUPAC: 2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-hydroxybutanamido]-3-[(triphenylmethyl)sulfanyl]propanoic acid

InChI: InChI=1/C41H38N2O6S/c1-27(44)37(43-40(48)49-25-35-33-23-13-11-21-31(33)32-22-12-14-24-34(32)35)38(45)42-36(39(46)47)26-50-41(28-15-5-2-6-16-28,29-17-7-3-8-18-29)30-19-9-4-10-20-30/h2-24,27,35-37,44H,25-26H2,1H3,(H,42,45)(H,43,48)(H,46,47)

Composition: C (71.70%), H (5.58%), N (4.08%), O (13.98%), S (4.67%)

Molar Mass: 686.82

Atom Count: 88

Heavy Atom Count: 50

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 3
Exact Mass 686.245058126
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 4
InChIKey VTVAYHIYTUGXDE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 195.41
Topological Polar Surface Area 124.96
Polarizability 76.89
Ring Count 6
Rotatable Bond Count 14

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Purity (%)
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C41H38N2O6S Quote Only