HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

D-Phenylalanine, N-((3-(((2-hydroxy-1-methyl-2-phenylethyl)methylamino)carbonyl)-2-methyl-6-quinoxalinyl)carbonyl)-, N,N'-dioxide, (R-(R*,S*))-

HCID 5488710
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
81485-16-7
Standard SMILES
CC1=C(C(=O)N(C)[C@@H](C)[C@H](O)c2ccccc2)N([O-])c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)ccc2N1[O-]
InChIKey
XKMWPWZWDLCHIH-OPWBJGKSSA-N
Molecular formula
C30H30N4O7-2
Average molar mass
558.6 g/mol
Monoisotopic mass
558.21254646

Names & identifiers

Preferred name
D-Phenylalanine, N-((3-(((2-hydroxy-1-methyl-2-phenylethyl)methylamino)carbonyl)-2-methyl-6-quinoxalinyl)carbonyl)-, N,N'-dioxide, (R-(R*,S*))-
IUPAC
(2R)-2-[[3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylcarbamoyl]-2-methyl-1,4-dioxidoquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid

Names & synonyms

81485-16-7D-Phenylalanine, N-((3-(((2-hydroxy-1-methyl-2-phenylethyl)methylamino)carbonyl)-2-methyl-6-quinoxalinyl)carbonyl)-, N,N'-dioxide, (R-(R*,S*))-DTXSID402311346-{[(1R)-1-CARBOXY-2-PHENYLETHYL]CARBAMOYL}-3-{[(1R,2S)-1-HYDROXY-1-PHENYLPROPAN-2-YL](METHYL)CARBAMOYL}-2-METHYLQUINOXALINE-1,4-BIS(OLATE)

Database identifiers

CAS
81485-16-7
PubChem CID
5488710
DTXSID
DTXSID40231134

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
160 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
41
Formal charge
-2
Complexity
978

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes