Name: Name:(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-trityl-2H-tetrazol-5-yl)propanoic acid
Brand: Angene
SKU: AG001JWK
Rating: 90 (10 reviews)

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-trityl-2H-tetrazol-5-yl)propanoic acid

CAS No.:

1446478-15-4

Catalog Number:

AG001JWK

Molecular Formula:

C38H31N5O4

Molecular Weight:

621.6838

Catalog Number:

AG001JWK

Chemical Name:

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-trityl-2H-tetrazol-5-yl)propanoic acid

CAS Number:

1446478-15-4

Molecular Formula:

C38H31N5O4

Molecular Weight:

621.6838

MDL Number:

MFCD27922152

IUPAC Name:

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-trityltetrazol-5-yl)propanoic acid

InChI:

InChI=1S/C38H31N5O4/c44-36(45)34(39-37(46)47-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)24-35-40-42-43(41-35)38(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H,39,46)(H,44,45)/t34-/m0/s1

InChI Key:

XUCHMEWCGJMNQC-UMSFTDKQSA-N

SMILES:

O=C(N[C@H](C(=O)O)Cc1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2c2c1cccc2

Complexity:

974

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

621.238g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

621.697g/mol

Monoisotopic Mass:

621.238g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.7