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101020-48-8

101020-48-8 | Glycine, N-[N-[1-[1-[1-(N-L-arginyl-L-threonyl)-L-prolyl]-L-prolyl]-L-prolyl]-L-seryl]- (9CI)

CAS No: 101020-48-8 Catalog No: AG0003KV MDL No:

Product Description

Catalog Number:
AG0003KV
Chemical Name:
Glycine, N-[N-[1-[1-[1-(N-L-arginyl-L-threonyl)-L-prolyl]-L-prolyl]-L-prolyl]-L-seryl]- (9CI)
CAS Number:
101020-48-8
Molecular Formula:
C30H50N10O10
Molecular Weight:
710.7790
IUPAC Name:
2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]acetic acid
InChI:
InChI=1S/C30H50N10O10/c1-16(42)23(37-24(45)17(31)6-2-10-34-30(32)33)29(50)40-13-5-9-21(40)28(49)39-12-4-8-20(39)27(48)38-11-3-7-19(38)26(47)36-18(15-41)25(46)35-14-22(43)44/h16-21,23,41-42H,2-15,31H2,1H3,(H,35,46)(H,36,47)(H,37,45)(H,43,44)(H4,32,33,34)/t16-,17+,18+,19+,20+,21+,23+/m1/s1
InChI Key:
JXHJMJNNMJQORC-UEHQSFIUSA-N
SMILES:
OC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCCNC(=N)N)N

Properties

Complexity:
1310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
710.371g/mol
Formal Charge:
0
Heavy Atom Count:
50  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
710.79g/mol
Monoisotopic Mass:
710.371g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
316A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.9  

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