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851121-73-8

851121-73-8 | L-Arginine, L-methionyl-L-valyl-L-arginylglycyl-L-tyrosyl-L-leucyl-

CAS No: 851121-73-8 Catalog No: AG004RDZ MDL No:

Product Description

Catalog Number:
AG004RDZ
Chemical Name:
L-Arginine, L-methionyl-L-valyl-L-arginylglycyl-L-tyrosyl-L-leucyl-
CAS Number:
851121-73-8
Molecular Formula:
C39H67N13O9S
Molecular Weight:
894.0960
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C39H67N13O9S/c1-21(2)18-28(34(57)50-27(37(60)61)9-7-16-46-39(43)44)51-35(58)29(19-23-10-12-24(53)13-11-23)48-30(54)20-47-33(56)26(8-6-15-45-38(41)42)49-36(59)31(22(3)4)52-32(55)25(40)14-17-62-5/h10-13,21-22,25-29,31,53H,6-9,14-20,40H2,1-5H3,(H,47,56)(H,48,54)(H,49,59)(H,50,57)(H,51,58)(H,52,55)(H,60,61)(H4,41,42,45)(H4,43,44,46)/t25-,26-,27-,28-,29-,31-/m0/s1
InChI Key:
DEHYNANKFSIUKG-TXDSBXPGSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C(C)C)N

Properties

Complexity:
1520  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
893.491g/mol
Formal Charge:
0
Heavy Atom Count:
62  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
894.107g/mol
Monoisotopic Mass:
893.491g/mol
Rotatable Bond Count:
29  
Topological Polar Surface Area:
412A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2  

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