200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 852572-93-1
852572-93-1 | Abz-Asp-Asp-Ile-Val-Pro-Cys-Ser-Met-Ser-3-nitro-Tyr-Thr-NH2
CAS No: 852572-93-1 Catalog No: AG00G49O MDL No:
Product Description
Catalog Number:
AG00G49O
Chemical Name:
Abz-Asp-Asp-Ile-Val-Pro-Cys-Ser-Met-Ser-3-nitro-Tyr-Thr-NH2
CAS Number:
852572-93-1
IUPAC Name:
(3S)-3-[(2-aminobenzoyl)amino]-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C58H84N14O22S2/c1-7-27(4)45(69-52(86)35(22-43(79)80)64-50(84)34(21-42(77)78)62-48(82)30-11-8-9-12-31(30)59)57(91)68-44(26(2)3)58(92)71-17-10-13-39(71)56(90)67-38(25-95)55(89)66-36(23-73)53(87)61-32(16-18-96-6)49(83)65-37(24-74)54(88)63-33(51(85)70-46(28(5)75)47(60)81)19-29-14-15-41(76)40(20-29)72(93)94/h8-9,11-12,14-15,20,26-28,32-39,44-46,73-76,95H,7,10,13,16-19,21-25,59H2,1-6H3,(H2,60,81)(H,61,87)(H,62,82)(H,63,88)(H,64,84)(H,65,83)(H,66,89)(H,67,90)(H,68,91)(H,69,86)(H,70,85)(H,77,78)(H,79,80)/t27-,28+,32-,33-,34-,35-,36-,37-,38-,39-,44-,45-,46-/m0/s1
InChI Key:
HPEIPHLEVXWIJI-CCSNTKEYSA-N
Properties
Complexity:
2770
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
13
Defined Bond Stereocenter Count:
0
Exact Mass:
1392.533g/mol
Formal Charge:
0
Heavy Atom Count:
96
Hydrogen Bond Acceptor Count:
25
Hydrogen Bond Donor Count:
19
Isotope Atom Count:
0
Molecular Weight:
1393.506g/mol
Monoisotopic Mass:
1392.533g/mol
Rotatable Bond Count:
38
Topological Polar Surface Area:
608A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.