CAS 131089-11-7 | L-Leucine, L-asparaginyl-L-tyrosyl-L-lysyl-L-lysyl-L-prolyl-L-lysyl- | CAS Number 131089-11-7

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131089-11-7 | L-Leucine, L-asparaginyl-L-tyrosyl-L-lysyl-L-lysyl-L-prolyl-L-lysyl-

CAS No: 131089-11-7 Catalog No: AG000VII MDL No:

Product Description

Catalog Number:

AG000VII

Chemical Name:

L-Leucine, L-asparaginyl-L-tyrosyl-L-lysyl-L-lysyl-L-prolyl-L-lysyl-

CAS Number:

131089-11-7

Molecular Formula:

C42H71N11O10

Molecular Weight:

890.0808

IUPAC Name:

(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylpentanoic acid

InChI:

InChI=1S/C42H71N11O10/c1-25(2)22-33(42(62)63)52-38(58)30(11-4-7-19-44)49-40(60)34-13-9-21-53(34)41(61)31(12-5-8-20-45)50-37(57)29(10-3-6-18-43)48-39(59)32(23-26-14-16-27(54)17-15-26)51-36(56)28(46)24-35(47)55/h14-17,25,28-34,54H,3-13,18-24,43-46H2,1-2H3,(H2,47,55)(H,48,59)(H,49,60)(H,50,57)(H,51,56)(H,52,58)(H,62,63)/t28-,29-,30-,31-,32-,33-,34-/m0/s1

InChI Key:

RQFNGWRPSKHMKK-NXBWRCJVSA-N

SMILES:

NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)N)N)CCCCN

Properties

Complexity:

1500

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

889.539g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

890.097g/mol

Monoisotopic Mass:

889.539g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

371A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-5.4

Literature

Title	Journal
Identification of a heparin-binding growth factor-1 nuclear translocation sequence by deletion mutation analysis.	The Journal of biological chemistry 19920315