CAS 13075-38-2 | L-Alanine, N-[(phenylmethoxy)carbonyl]glycyl-L-prolylglycylglycyl-L-prolyl- | CAS Number 13075-38-2

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13075-38-2 | L-Alanine, N-[(phenylmethoxy)carbonyl]glycyl-L-prolylglycylglycyl-L-prolyl-

CAS No: 13075-38-2 Catalog No: AG000UX0 MDL No:

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

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

588.254g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

588.618g/mol

Monoisotopic Mass:

588.254g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

204A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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