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CHEBI:205894 - 1962-A

ChEBI IDCHEBI:205894
ChEBI Name1962-A
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FormulaC30H45N5O8
Net Charge0
Average Mass603.717
Monoisotopic Mass603.32681
SMILESCC(C)C[C@@H]1OC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)CNC1=O
InChIInChI=1S/C30H45N5O8/c1-16(2)11-22-30(42)43-23(12-17(3)4)28(40)32-15-25(38)35-26(18(5)6)29(41)34-21(27(39)31-14-24(37)33-22)13-19-7-9-20(36)10-8-19/h7-10,16-18,21-23,26,36H,11-15H2,1-6H3,(H,31,39)(H,32,40)(H,33,37)(H,34,41)(H,35,38)/t21-,22+,23-,26-/m0/s1
InChIKeyYHTLEEMONFFJCU-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-A (CHEBI:205894) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,9S,12S,18S)-9-[(4-hydroxyphenyl)methyl]-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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