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76046-51-0 | L-Valine, N-[N-[N-[1-[1-(N-L-arginylglycyl)-L-prolyl]-L-prolyl]glycyl]glycyl]-
CAS No: 76046-51-0 Catalog No: AG005GGR MDL No:
Product Description
Catalog Number:
AG005GGR
Chemical Name:
L-Valine, N-[N-[N-[1-[1-(N-L-arginylglycyl)-L-prolyl]-L-prolyl]glycyl]glycyl]-
CAS Number:
76046-51-0
Molecular Formula:
C27H46N10O8
Molecular Weight:
638.7163
IUPAC Name:
(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-1-[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C27H46N10O8/c1-15(2)22(26(44)45)35-20(39)13-32-19(38)12-33-24(42)17-7-4-11-37(17)25(43)18-8-5-10-36(18)21(40)14-34-23(41)16(28)6-3-9-31-27(29)30/h15-18,22H,3-14,28H2,1-2H3,(H,32,38)(H,33,42)(H,34,41)(H,35,39)(H,44,45)(H4,29,30,31)/t16-,17-,18-,22-/m0/s1
InChI Key:
VWVLLDDEEYZCOM-ORGXJRBJSA-N
SMILES:
O=C(CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(=N)N)N)NCC(=O)N[C@H](C(=O)O)C(C)C
Properties
Complexity:
1140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
638.35g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
638.727g/mol
Monoisotopic Mass:
638.35g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
285A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.3
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