Name: Name:(S)-2-((S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-methylbutanamido)-5-ureidopentanoic acid
Brand: Angene
SKU: AG00ABKN
Rating: 90 (10 reviews)

(S)-2-((S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-methylbutanamido)-5-ureidopentanoic acid

CAS No.:

159858-21-6

Catalog Number:

AG00ABKN

Molecular Formula:

C26H32N4O6

Molecular Weight:

496.5555

Catalog Number:

AG00ABKN

Chemical Name:

(S)-2-((S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-methylbutanamido)-5-ureidopentanoic acid

CAS Number:

159858-21-6

Molecular Formula:

C26H32N4O6

Molecular Weight:

496.5555

MDL Number:

MFCD28139060

IUPAC Name:

(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoic acid

InChI:

InChI=1S/C26H32N4O6/c1-15(2)22(23(31)29-21(24(32)33)12-7-13-28-25(27)34)30-26(35)36-14-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,15,20-22H,7,12-14H2,1-2H3,(H,29,31)(H,30,35)(H,32,33)(H3,27,28,34)/t21-,22-/m0/s1

InChI Key:

ZJLNQOIFTYLCHC-VXKWHMMOSA-N

SMILES:

NC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OCC1c2ccccc2c2c1cccc2

Complexity:

768

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

496.232g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

496.564g/mol

Monoisotopic Mass:

496.232g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

160A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9