3[8(S)-[1(S)-tert.butoxy formamido-2-methylpropyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-phenyl-3-indolyl)-furan-2,5-dione
Basic information
- Standard SMILES
CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H]1CCn2c(c(C3=C(c4cn(-c5ccccc5)c5ccccc45)C(=O)OC3=O)c3ccccc32)C1- InChIKey
GOECRKCCAQOTLG-AOXBRHMESA-N- Molecular formula
- C39H39N3O5
- Average molar mass
- 629.7 g/mol
Names & identifiers
- Preferred name
- 3[8(S)-[1(S)-tert.butoxy formamido-2-methylpropyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-phenyl-3-indolyl)-furan-2,5-dione
- IUPAC
- tert-butyl N-[(1S)-1-[(8S)-10-[2,5-dioxo-4-(1-phenylindol-3-yl)furan-3-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl]-2-methylpropyl]carbamate
Names & synonyms
SCHEMBL8454255GOECRKCCAQOTLG-AOXBRHMESA-N3[8(S)-[1(S)-tert.butoxy formamido-2-methylpropyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-phenyl-3-indolyl)-furan-2,5-dione3[8(S)-[1(S)-tert.butoxyformamido-2-methylpropyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-phenyl-3-indolyl)-furan-2,5-dione
Database identifiers
- PubChem CID
- 86752149
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,230
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Related reactions
2 records
Compound notes
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