CAS 827032-50-8 | L-Alanine, L-phenylalanylglycyl-L-alanyl-L-seryl-L-threonyl-L-arginylglycyl- | CAS Number 827032-50-8

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827032-50-8 | L-Alanine, L-phenylalanylglycyl-L-alanyl-L-seryl-L-threonyl-L-arginylglycyl-

CAS No: 827032-50-8 Catalog No: AG004VWY MDL No:

Product Description

Catalog Number:

AG004VWY

Chemical Name:

L-Alanine, L-phenylalanylglycyl-L-alanyl-L-seryl-L-threonyl-L-arginylglycyl-

CAS Number:

827032-50-8

Molecular Formula:

C32H51N11O11

Molecular Weight:

765.8144

IUPAC Name:

(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]propanoic acid

InChI:

InChI=1S/C32H51N11O11/c1-16(39-23(46)13-37-27(49)20(33)12-19-8-5-4-6-9-19)26(48)42-22(15-44)29(51)43-25(18(3)45)30(52)41-21(10-7-11-36-32(34)35)28(50)38-14-24(47)40-17(2)31(53)54/h4-6,8-9,16-18,20-22,25,44-45H,7,10-15,33H2,1-3H3,(H,37,49)(H,38,50)(H,39,46)(H,40,47)(H,41,52)(H,42,48)(H,43,51)(H,53,54)(H4,34,35,36)/t16-,17-,18+,20-,21-,22-,25-/m0/s1

InChI Key:

IZLJLNQBNORYDM-NQVZNNHBSA-N

SMILES:

OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)C)CCCNC(=N)N)[C@H](O)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)N)C

Properties

Complexity:

1340

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

765.377g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

765.826g/mol

Monoisotopic Mass:

765.377g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

372A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-6.9

Literature

Title	Journal
A novel angiotensin I converting enzyme inhibitory peptide from Alaska pollack (Theragra chalcogramma) frame protein hydrolysate.	Journal of agricultural and food chemistry 20041229