(2R)-N-(3-azanyl-2-oxidanyl-propyl)-3-naphthalen-2-yl-2-(3-phenothiazin-10-ylpropanoylamino)propanamide

Systemtic Name: (2R)-N-(3-azanyl-2-oxidanyl-propyl)-3-naphthalen-2-yl-2-(3-phenothiazin-10-ylpropanoylamino)propanamide Openeye Name: (2R)-N-(3-amino-2-hydroxy-propyl)-3-(2-naphthyl)-2-(3-phenothiazin-10-ylpropanoylamino)propanamide CAS Name: (2R)-N-(3-amino-2-hydroxypropyl)-3-(2-naphthalenyl)-2-[[1-oxo-3-(10-phenothiazinyl)propyl]amino]propanamide IUPAC Name: (2R)-N-(3-amino-2-hydroxypropyl)-3-naphthalen-2-yl-2-(3-phenothiazin-10-ylpropanoylamino)propanamide Traditional Name: (2R)-N-(3-amino-2-hydroxy-propyl)-3-(2-naphthyl)-2-(3-phenothiazin-10-ylpropanoylamino)propionamide Formula: C31H32N4O3S MolecularWeight: 540.67578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NCC(CN)O)NC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C[C@H](C(=O)NCC(CN)O)NC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C31H32N4O3S/c32-19-24(36)20-33-31(38)25(18-21-13-14-22-7-1-2-8-23(22)17-21)34-30(37)15-16-35-26-9-3-5-11-28(26)39-29-12-6-4-10-27(29)35/h1-14,17,24-25,36H,15-16,18-20,32H2,(H,33,38)(H,34,37)/t24?,25-/m1/s1