Catalog Number:
AG002DW8
Chemical Name:
L-Lysine, N-[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-α-aspartyl-L-α-glutamyl-L-valyl-L-α-aspartyl-L-alanyl-L-prolyl-N6-(2,4-dinitrophenyl)- (9CI)
CAS Number:
189696-20-6
Molecular Formula:
C50H62N10O22
Molecular Weight:
1155.0811
IUPAC Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-6-(2,4-dinitroanilino)hexanoic acid
InChI:
InChI=1S/C50H62N10O22/c1-24(2)43(57-44(69)31(14-15-39(62)63)54-46(71)33(22-40(64)65)53-38(61)18-26-19-42(68)82-37-21-28(81-4)11-12-29(26)37)48(73)56-34(23-41(66)67)45(70)52-25(3)49(74)58-17-7-9-35(58)47(72)55-32(50(75)76)8-5-6-16-51-30-13-10-27(59(77)78)20-36(30)60(79)80/h10-13,19-21,24-25,31-35,43,51H,5-9,14-18,22-23H2,1-4H3,(H,52,70)(H,53,61)(H,54,71)(H,55,72)(H,56,73)(H,57,69)(H,62,63)(H,64,65)(H,66,67)(H,75,76)/t25-,31-,32-,33-,34-,35-,43-/m0/s1
InChI Key:
YOUVSUDOGAVRQX-AEAFXXELSA-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)CCC(=O)O)CC(=O)O