(Q104203201)

English

3-[(3S,6S,9S,12S,15S,18S,21S,26aS)-6,9,12-tribenzyl-1,4,7,10,13,16,19-heptahydroxy-15,21-dimethyl-3-(2-methylpropyl)-22-oxo-3H,6H,9H,12H,15H,18H,21H,24H,25H,26H,26aH-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-18-yl]propanimidic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

3-[6,9,12-tribenzyl-1,4,7,10,13,16,19-heptahydroxy-15,21-dimethyl-3-(2-methylpropyl)-22-oxo-3H,6H,9H,12H,15H,18H,21H,24H,25H,26H,26aH-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-18-yl]propanimidic acid

1 reference

based on heuristic

inferred from SMILES

921.4748745960001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

cyclo[Ala-Gln-D-Ala-Pro-Leu-Phe-Phe-Phe]

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₉H₆₃N₉O₉

0 references

canonical SMILES

CC(C)CC1NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC1=O

0 references

isomeric SMILES

CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O

0 references

1 reference

New prenylated aeruginosin, microphycin, anabaenopeptin and micropeptin analogues from a Microcystis bloom material collected in Kibbutz Kfar Blum, Israel

Identifiers

InChI=1S/C49H63N9O9/c1-29(2)25-36-45(63)55-38(27-33-17-10-6-11-18-33)47(65)56-39(28-34-19-12-7-13-20-34)46(64)54-37(26-32-15-8-5-9-16-32)44(62)51-30(3)42(60)53-35(22-23-41(50)59)43(61)52-31(4)49(67)58-24-14-21-40(58)48(66)57-36/h5-13,15-20,29-31,35-40H,14,21-28H2,1-4H3,(H2,50,59)(H,51,62)(H,52,61)(H,53,60)(H,54,64)(H,55,63)(H,56,65)(H,57,66)/t30-,31-,35-,36-,37-,38-,39-,40-/m0/s1

0 references

LPFPRCWRCQGJHJ-FDLSECELSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

LPFPRCWRCQGJHJ-FDLSECELSA-N

UniChem compound ID

1 reference

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