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Home > Nitro Compounds > 128340-45-4
128340-45-4 | HIV Protease Substrate VII H-Lys-Ala-Arg-Val-Tyr-p-nitro-Phe-Glu-Ala-Nle-NH2
CAS No: 128340-45-4 Catalog No: AG01EARD MDL No:
Product Description
Catalog Number:
AG01EARD
Chemical Name:
HIV Protease Substrate VII H-Lys-Ala-Arg-Val-Tyr-p-nitro-Phe-Glu-Ala-Nle-NH2
CAS Number:
128340-45-4
IUPAC Name:
(4S)-5-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C52H81N15O14/c1-6-7-12-36(43(55)71)61-44(72)30(5)60-47(75)38(22-23-41(69)70)63-49(77)39(26-31-14-18-33(19-15-31)67(80)81)64-50(78)40(27-32-16-20-34(68)21-17-32)65-51(79)42(28(2)3)66-48(76)37(13-10-25-58-52(56)57)62-45(73)29(4)59-46(74)35(54)11-8-9-24-53/h14-21,28-30,35-40,42,68H,6-13,22-27,53-54H2,1-5H3,(H2,55,71)(H,59,74)(H,60,75)(H,61,72)(H,62,73)(H,63,77)(H,64,78)(H,65,79)(H,66,76)(H,69,70)(H4,56,57,58)/t29-,30-,35-,36-,37-,38-,39-,40-,42-/m0/s1
InChI Key:
SZTXMADWAUFULI-GOMXOUEZSA-N
Properties
Complexity:
2130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
1139.609g/mol
Formal Charge:
0
Heavy Atom Count:
81
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
15
Isotope Atom Count:
0
Molecular Weight:
1140.311g/mol
Monoisotopic Mass:
1139.609g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
496A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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