Concept information
Preferred term
[Gly1,D Asp3,Dhb7]MC RR
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C47H71N13O12
inchi
- InChI=1S/C47H71N13O12/c1-6-30-41(65)54-25-39(63)57-33(15-11-21-53-47(50)51)43(67)60-35(45(70)71)24-38(62)56-32(14-10-20-52-46(48)49)42(66)58-31(28(4)40(64)59-34(44(68)69)18-19-37(61)55-30)17-16-26(2)22-27(3)36(72-5)23-29-12-8-7-9-13-29/h6-9,12-13,16-17,22,27-28,31-36H,10-11,14-15,18-21,23-25H2,1-5H3,(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,59,64)(H,60,67)(H,68,69)(H,70,71)(H4,48,49,52)(H4,50,51,53)/b17-16+,26-22+,30-6?/t27-,28-,31-,32-,33-,34+,35+,36-/m0/s1
inchikey
- KRUAITXTWMLKOY-AGFRCYLPSA-N
mass
- 1010.164
monoisotopicmass
- 1009.53451
smiles
- O=C1NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(NC1=CC)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CCCN=C(N)N
subset
- 2_STAR
synonym EXACT
- (8S,11R,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-2-ethylidene-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-19-methyl-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:213936
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