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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(triphenylmethylcarbamoyl)butanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(triphenylmethylcarbamoyl)butanoic acid

CAS: 132327-80-1

Formula: C39H34N2O5

SMILES: OC(=O)[C@H](CCC(=O)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-[(triphenylmethyl)carbamoyl]butanoic acid

InChI: InChI=1S/C39H34N2O5/c42-36(41-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29)25-24-35(37(43)44)40-38(45)46-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34/h1-23,34-35H,24-26H2,(H,40,45)(H,41,42)(H,43,44)/t35-/m0/s1

Composition: C (76.70%), H (5.61%), N (4.59%), O (13.10%)

Molar Mass: 610.71

Atom Count: 80

Heavy Atom Count: 46

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 1
Exact Mass 610.246772203
Formal Charge 0
FSP3 0.15
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey WDGICUODAOGOMO-DHUJRADRSA-N
Lipinski's Rule of Five
Molar Refractivity 177.14
Topological Polar Surface Area 104.73
Polarizability 69.53
Ring Count 6
Rotatable Bond Count 12

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