Neoviridogrisein IV

HCID 196972

Notes Reactions

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Basic information

Standard SMILES: CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)N(C)C(=O)[C@H](C)NC(=O)C([C@@H](C)C(C)C)N(C)C(=O)CN(C)C(=O)[C@H]2C[C@@H](O)CN2C1=O
InChIKey: SATIISJKSAELDC-PTHMJROFSA-N
Molecular formula: C44H62N8O11
Average molar mass: 879 g/mol

Overview

See also: Etamycin (annotation moved to).

Names & identifiers

Preferred name: Neoviridogrisein IV
IUPAC: 3-hydroxy-N-[(3R,6S,7R,10S,13S,22R,24R)-24-hydroxy-7,11,13,17,20-pentamethyl-16-[(2S)-3-methylbutan-2-yl]-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide

Names & synonyms

Neoviridogrisein IV3-hydroxy-N-[(3R,6S,7R,10S,13S,22R,24R)-24-hydroxy-7,11,13,17,20-pentamethyl-16-[(2S)-3-methylbutan-2-yl]-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamideSATIISJKSAELDC-PTHMJROFSA-NQ15410937

Database identifiers

PubChem CID: 196972

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 248 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 12
Rotatable bonds: 7
Heavy atoms: 63
Formal charge: 0
Complexity: 1,670

Related reactions

1 records

New reaction record

HRID 223586As reactantuspto-grants-1982_10

Compound notes

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