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817627-94-4 | L-Arginine, L-phenylalanylglycylglycyl-L-cysteinyl-L-histidyl-
CAS No: 817627-94-4 Catalog No: AG0056YR MDL No:
Product Description
Catalog Number:
AG0056YR
Chemical Name:
L-Arginine, L-phenylalanylglycylglycyl-L-cysteinyl-L-histidyl-
CAS Number:
817627-94-4
Molecular Formula:
C28H41N11O7S
Molecular Weight:
675.7596
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C28H41N11O7S/c29-18(9-16-5-2-1-3-6-16)24(42)35-12-22(40)34-13-23(41)37-21(14-47)26(44)39-20(10-17-11-32-15-36-17)25(43)38-19(27(45)46)7-4-8-33-28(30)31/h1-3,5-6,11,15,18-21,47H,4,7-10,12-14,29H2,(H,32,36)(H,34,40)(H,35,42)(H,37,41)(H,38,43)(H,39,44)(H,45,46)(H4,30,31,33)/t18-,19-,20-,21-/m0/s1
InChI Key:
UGPCTXWOFLPZHG-TUFLPTIASA-N
SMILES:
SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)Cc1c[nH]cn1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
675.291g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
11
Isotope Atom Count:
0
Molecular Weight:
675.766g/mol
Monoisotopic Mass:
675.291g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
303A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5
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