N-((2S,3R)-4-((S)-6-Ethylchroman-4-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxamide

HCID 66844673
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Basic information

Standard SMILES
CCc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1CNc3ccccc3O1)CCO2
InChIKey
OMEDATPBOHGBJA-TWHUBYIBSA-N
Molecular formula
C30H35N3O4
Average molar mass
501.6 g/mol

Names & identifiers

Preferred name
N-((2S,3R)-4-((S)-6-Ethylchroman-4-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxamide
IUPAC
N-[(2S,3R)-4-[[(4S)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

Names & synonyms

SCHEMBL924178OMEDATPBOHGBJA-TWHUBYIBSA-NN-((2S,3R)-4-((S)-6-Ethylchroman-4-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxamide

Database identifiers

PubChem CID
66844673

Properties

Computed structural properties

XLogP
5
Topological polar surface area
91.9 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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