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CHEBI:217287 - 1962-B

ChEBI IDCHEBI:217287
ChEBI Name1962-B
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FormulaC30H45N5O7
Net Charge0
Average Mass587.718
Monoisotopic Mass587.33190
SMILESCC(C)C[C@@H]1OC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)CNC1=O
InChIInChI=1S/C30H45N5O7/c1-17(2)12-22-30(41)42-23(13-18(3)4)28(39)32-16-25(37)35-26(19(5)6)29(40)34-21(14-20-10-8-7-9-11-20)27(38)31-15-24(36)33-22/h7-11,17-19,21-23,26H,12-16H2,1-6H3,(H,31,38)(H,32,39)(H,33,36)(H,34,40)(H,35,37)/t21-,22+,23-,26-/m0/s1
InChIKeyBUYZWYKJFCKQNR-LNEBKTTKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1962-B (CHEBI:217287) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,9S,12S,18S)-9-benzyl-3,18-bis(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclooctadecane-2,5,8,11,14,17-hexone
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