CAS 189684-53-5 | L-α-Asparagine, N-acetyl-L-valyl-L-α-aspartyl-L-valyl-L-alanyl-N-(4-nitrophenyl)- | CAS Number 189684-53-5

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189684-53-5 | L-α-Asparagine, N-acetyl-L-valyl-L-α-aspartyl-L-valyl-L-alanyl-N-(4-nitrophenyl)-

CAS No: 189684-53-5 Catalog No: AG002DVJ MDL No:

Product Description

Catalog Number:

AG002DVJ

Chemical Name:

L-α-Asparagine, N-acetyl-L-valyl-L-α-aspartyl-L-valyl-L-alanyl-N-(4-nitrophenyl)-

CAS Number:

189684-53-5

Molecular Formula:

C29H41N7O12

Molecular Weight:

679.6755

IUPAC Name:

3-[2-[[2-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-(4-nitroanilino)-4-oxobutanoic acid

InChI:

InChI=1S/C29H41N7O12/c1-13(2)23(31-16(6)37)29(46)34-20(12-22(40)41)27(44)35-24(14(3)4)28(45)30-15(5)25(42)33-19(11-21(38)39)26(43)32-17-7-9-18(10-8-17)36(47)48/h7-10,13-15,19-20,23-24H,11-12H2,1-6H3,(H,30,45)(H,31,37)(H,32,43)(H,33,42)(H,34,46)(H,35,44)(H,38,39)(H,40,41)

InChI Key:

SIOKOOKURWWOID-UHFFFAOYSA-N

SMILES:

OC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N)CC(=O)O)c1ccc(cc1)[N+](=O)[O-])C)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C