CAS 189696-01-3 | L-Lysine, N-[2-(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-tyrosyl-L-valyl-L-alanyl-L-α-aspartyl-L-alanyl-L-prolyl-N6-(2,4-dinitrophenyl)- | CAS Number 189696-01-3

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189696-01-3 | L-Lysine, N-[2-(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-tyrosyl-L-valyl-L-alanyl-L-α-aspartyl-L-alanyl-L-prolyl-N6-(2,4-dinitrophenyl)-

CAS No: 189696-01-3 Catalog No: AG002DW9 MDL No:

Product Description

Catalog Number:

AG002DW9

Chemical Name:

L-Lysine, N-[2-(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-tyrosyl-L-valyl-L-alanyl-L-α-aspartyl-L-alanyl-L-prolyl-N6-(2,4-dinitrophenyl)-

CAS Number:

189696-01-3

Molecular Formula:

C53H64N10O19

Molecular Weight:

1145.1309

IUPAC Name:

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-6-(2,4-dinitroanilino)hexanoic acid

InChI:

InChI=1S/C53H64N10O19/c1-27(2)46(60-49(71)38(21-30-11-14-33(64)15-12-30)57-43(65)22-31-23-45(68)82-42-25-34(81-5)16-17-35(31)42)51(73)55-28(3)47(69)59-39(26-44(66)67)48(70)56-29(4)52(74)61-20-8-10-40(61)50(72)58-37(53(75)76)9-6-7-19-54-36-18-13-32(62(77)78)24-41(36)63(79)80/h11-18,23-25,27-29,37-40,46,54,64H,6-10,19-22,26H2,1-5H3,(H,55,73)(H,56,70)(H,57,65)(H,58,72)(H,59,69)(H,60,71)(H,66,67)(H,75,76)/t28-,29-,37-,38-,39-,40-,46-/m0/s1

InChI Key:

XLXKHBNLWUCNOC-XUFBPUFYSA-N

SMILES:

COc1ccc2c(c1)oc(=O)cc2CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C)CC(=O)O)C)C(C)C)Cc1ccc(cc1)O