Text Search
Structure Search

benzyl (2R)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoate

benzyl (2R)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoate

CAS: 126496-81-9

Formula: C26H24N2O4

SMILES: O=C(N[C@H](CC1=CNC2=CC=CC=C12)C(=O)OCC1=CC=CC=C1)OCC1=CC=CC=C1

IUPAC: benzyl (2R)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoate

InChI: InChI=1S/C26H24N2O4/c29-25(31-17-19-9-3-1-4-10-19)24(15-21-16-27-23-14-8-7-13-22(21)23)28-26(30)32-18-20-11-5-2-6-12-20/h1-14,16,24,27H,15,17-18H2,(H,28,30)/t24-/m1/s1

Composition: C (72.88%), H (5.65%), N (6.54%), O (14.94%)

Molar Mass: 428.488

Atom Count: 56

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 428.173607261
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey UHYCVEDLXBEKPC-XMMPIXPASA-N
Lipinski's Rule of Five
Molar Refractivity 121.26
Topological Polar Surface Area 80.42
Polarizability 48.44
Ring Count 4
Rotatable Bond Count 10

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 126496-81-9 $211.95-$503.64$211.95$211.95$503.64$503.64
Request Quote