Concept information
Preferred term
[ADMAdda5]MC FR
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C53H72N10O13
inchi
- InChI=1S/C53H72N10O13/c1-29(26-30(2)42(76-35(7)64)28-37-18-13-10-14-19-37)21-22-38-31(3)45(66)60-40(51(72)73)23-24-43(65)63(8)34(6)48(69)57-33(5)47(68)61-41(27-36-16-11-9-12-17-36)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)20-15-25-56-53(54)55/h9-14,16-19,21-22,26,30-33,38-42,44H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-21+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
inchikey
- OXDQKFXDBASUQU-BTFGLNETSA-N
mass
- 1057.216
monoisotopicmass
- 1056.52803
smiles
- O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)C)CC3=CC=CC=C3)C
subset
- 2_STAR
synonym EXACT
- (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-8-benzyl-15-[3-(diaminomethylideneamino)propyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:220929
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