11-azanyl-N-[(2S)-1-[[(2S)-6-azanyl-1-oxidanylidene-1-(phenethylamino)hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]undecanamide

Systemtic Name: 11-azanyl-N-[(2S)-1-[[(2S)-6-azanyl-1-oxidanylidene-1-(phenethylamino)hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]undecanamide Openeye Name: 11-amino-N-[(1S)-2-[[(1S)-5-amino-1-(phenethylcarbamoyl)pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]undecanamide CAS Name: 11-amino-N-[(2S)-1-[[(2S)-6-amino-1-oxo-1-(phenethylamino)hexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]undecanamide IUPAC Name: 11-amino-N-[(2S)-1-[[(2S)-6-amino-1-oxo-1-(phenethylamino)hexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]undecanamide Traditional Name: 11-amino-N-[(1S)-2-[[(1S)-5-amino-1-(phenethylcarbamoyl)pentyl]amino]-2-keto-1-methylol-ethyl]undecanamide Formula: C28H49N5O4 MolecularWeight: 519.71976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)CCCCCCCCCCN

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCN

InChI

InChI=1S/C28H49N5O4/c29-19-12-6-4-2-1-3-5-10-17-26(35)32-25(22-34)28(37)33-24(16-11-13-20-30)27(36)31-21-18-23-14-8-7-9-15-23/h7-9,14-15,24-25,34H,1-6,10-13,16-22,29-30H2,(H,31,36)(H,32,35)(H,33,37)/t24-,25-/m0/s1