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189289-36-9

189289-36-9 | L-Proline, L-arginyl-L-seryl-L-threonyl-L-seryl-L-alanylglycyl- (9CI)

CAS No: 189289-36-9 Catalog No: AG002I7X MDL No:

Product Description

Catalog Number:
AG002I7X
Chemical Name:
L-Proline, L-arginyl-L-seryl-L-threonyl-L-seryl-L-alanylglycyl- (9CI)
CAS Number:
189289-36-9
Molecular Formula:
C26H46N10O11
Molecular Weight:
674.7038
IUPAC Name:
(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C26H46N10O11/c1-12(20(41)31-9-18(40)36-8-4-6-17(36)25(46)47)32-22(43)15(10-37)34-24(45)19(13(2)39)35-23(44)16(11-38)33-21(42)14(27)5-3-7-30-26(28)29/h12-17,19,37-39H,3-11,27H2,1-2H3,(H,31,41)(H,32,43)(H,33,42)(H,34,45)(H,35,44)(H,46,47)(H4,28,29,30)/t12-,13+,14-,15-,16-,17-,19-/m0/s1
InChI Key:
JBQFFAYYUDPFIE-HKJNTEPFSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CO

Properties

Complexity:
1170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
674.335g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
674.713g/mol
Monoisotopic Mass:
674.335g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
354A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-8.5  

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