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- Double-bond stereo
- 3 of 3 defined stereocentres
- Non-standard isotope
N-{[(2S,3S)-7-Carboxy-3-(2-carboxyethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2,3-dihydro-5-porphyrinyl]acetyl}-L-(~13~C_4_,~15~N)aspartic acid
C=CC1=C2C=C3C(=C(CC)C(=N3)C=C4C(=C(C(=C(CC(=[15N][13C@@H]([13CH2][13C](=O)O)[13C](=O)O)O)C5=NC(=CC(=C1C)N2)[C@@H](C)[C@@H]5CCC(=O)O)N4)C(=O)O)C)C CCC1=C(/c/2c/c3c(c(c([nH]3)/cc/4\nc(/c(c\5/c(c(/c(/[nH]5)c/c1n2)C)C(=O)O)/CC(=O)[15NH][13C@@H]([13CH2][13C](=O)O)[13C](=O)O)[C@H]([C@@H]4C)CCC(=O)O)C)C=C)C
InChI=1S/C38H41N5O9/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24/h7,12-14,18,22,30,39,43H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-/t18-,22-,30-/m0/s1/i15+1,30+1,33+1,37+1,41+1
VSEIDZLLWQQJGK-NZGAKXPOSA-N
CSID:58785402, http://www.chemspider.com/Chemical-Structure.58785402.html (accessed 06:34, Apr 28, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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