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Home Carbonyls L-Alanine, N-[(phenylmethoxy)carbonyl]glycyl-L-prolylglycylglycyl-L-prolyl-

L-Alanine, N-[(phenylmethoxy)carbonyl]glycyl-L-prolylglycylglycyl-L-prolyl-

CAS No.:
13075-38-2
Catalog Number:
AG000UX0
Molecular Formula:
C27H36N6O9
Molecular Weight:
588.6095
Pack Size
Purity
Availability
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Price(USD)
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1g
1 week
United States
$270
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Product Description
Catalog Number:
AG000UX0
Chemical Name:
L-Alanine, N-[(phenylmethoxy)carbonyl]glycyl-L-prolylglycylglycyl-L-prolyl-
CAS Number:
13075-38-2
Molecular Formula:
C27H36N6O9
Molecular Weight:
588.6095
MDL Number:
MFCD00077021
IUPAC Name:
(2S)-2-[[(2S)-1-[2-[[2-[[(2S)-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
InChI:
InChI=1S/C27H36N6O9/c1-17(26(39)40)31-25(38)20-10-6-12-33(20)22(35)14-28-21(34)13-29-24(37)19-9-5-11-32(19)23(36)15-30-27(41)42-16-18-7-3-2-4-8-18/h2-4,7-8,17,19-20H,5-6,9-16H2,1H3,(H,28,34)(H,29,37)(H,30,41)(H,31,38)(H,39,40)/t17-,19-,20-/m0/s1
InChI Key:
YMMPZCZOLKBHAP-IHPCNDPISA-N
SMILES:
O=C(NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1
EC Number:
235-973-2
Properties
Complexity:
1030  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
588.254g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
588.618g/mol
Monoisotopic Mass:
588.254g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Literature
Title Journal
Gene cloning and characterization of a Bacillus vietnamensis metalloprotease. Bioscience, biotechnology, and biochemistry 20040701
Cloning and sequence analysis of a novel metalloprotease gene from Vibrio parahaemolyticus 04. Gene 20020123
Inhibitors and specificity of Pseudomonas aeruginosa LasA. The Journal of biological chemistry 19970411
Cleavage of des-Arg9-bradykinin by angiotensin I-converting enzyme from pig kidney cortex. Experientia 19850315
Properties