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Home > Nitro Compounds > 130877-92-8
130877-92-8 | HIV Protease Substrate VI H-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2
CAS No: 130877-92-8 Catalog No: AG01EAPX MDL No:
Product Description
Catalog Number:
AG01EAPX
Chemical Name:
HIV Protease Substrate VI H-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2
CAS Number:
130877-92-8
IUPAC Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C40H66N12O11/c1-6-8-12-27(33(42)55)47-34(56)23(5)46-36(58)29(18-19-31(53)54)48-38(60)30(21-24-14-16-25(17-15-24)52(62)63)50-37(59)28(13-9-7-2)49-39(61)32(22(3)4)51-35(57)26(41)11-10-20-45-40(43)44/h14-17,22-23,26-30,32H,6-13,18-21,41H2,1-5H3,(H2,42,55)(H,46,58)(H,47,56)(H,48,60)(H,49,61)(H,50,59)(H,51,57)(H,53,54)(H4,43,44,45)/t23-,26-,27-,28-,29-,30-,32-/m0/s1
InChI Key:
SKVRTIXPQZQNMQ-APYWWOEASA-N
Properties
Complexity:
1580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
890.497g/mol
Formal Charge:
0
Heavy Atom Count:
63
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
11
Isotope Atom Count:
0
Molecular Weight:
891.041g/mol
Monoisotopic Mass:
890.497g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
391A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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