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138849-29-3

138849-29-3 | L-Argininamide, L-cysteinyl-L-seryl-L-threonyl-L-seryl-L-cysteinyl- (9CI)

CAS No: 138849-29-3 Catalog No: AG0019P0 MDL No:

Product Description

Catalog Number:
AG0019P0
Chemical Name:
L-Argininamide, L-cysteinyl-L-seryl-L-threonyl-L-seryl-L-cysteinyl- (9CI)
CAS Number:
138849-29-3
Molecular Formula:
C22H42N10O9S2
Molecular Weight:
654.7605
IUPAC Name:
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
InChI:
InChI=1S/C22H42N10O9S2/c1-9(35)15(32-19(39)13(6-34)29-17(37)10(23)7-42)21(41)30-12(5-33)18(38)31-14(8-43)20(40)28-11(16(24)36)3-2-4-27-22(25)26/h9-15,33-35,42-43H,2-8,23H2,1H3,(H2,24,36)(H,28,40)(H,29,37)(H,30,41)(H,31,38)(H,32,39)(H4,25,26,27)/t9-,10+,11+,12+,13+,14+,15+/m1/s1
InChI Key:
DXNVWNLHOSGTAT-OAXDCTPSSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCNC(=N)N)CS)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CS)N)CO

Properties

Complexity:
1000  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
654.258g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
14  
Isotope Atom Count:
0
Molecular Weight:
654.759g/mol
Monoisotopic Mass:
654.258g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
342A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.7  

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