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CHEBI:42514 - 3-{(2S)-3-(4-acetylpiperazin-1-yl)-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide

ChEBI IDCHEBI:42514
ChEBI Name3-{(2S)-3-(4-acetylpiperazin-1-yl)-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide
Stars
ASCII Name3-{(2S)-3-(4-acetylpiperazin-1-yl)-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide
Last Modified22 February 2018
DownloadsMolfile
FormulaC26H29N5O4S
Net Charge0
Average Mass507.616
Monoisotopic Mass507.19403
SMILES[H]/N=C(/c1c([H])c([H])c([H])c(C([H])([H])[C@@]([H])(C(=O)N2C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C([H])([H])C2([H])[H])N([H])S(=O)(=O)c2c([H])c([H])c3c([H])c([H])c([H])c([H])c3c2[H])c1[H])N([H])[H]
InChIInChI=1S/C26H29N5O4S/c1-18(32)30-11-13-31(14-12-30)26(33)24(16-19-5-4-8-22(15-19)25(27)28)29-36(34,35)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17,24,29H,11-14,16H2,1H3,(H3,27,28)/t24-/m0/s1
InChIKeyZUWBXGHMVKDMQO-DEOSSOPVSA-N
ChEBI Ontology
Outgoing Relation(s)
3-{(2S)-3-(4-acetylpiperazin-1-yl)-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide (CHEBI:42514) is a N-acylpiperazine (CHEBI:46844)
3-{(2S)-3-(4-acetylpiperazin-1-yl)-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide (CHEBI:42514) is a carboxamidine (CHEBI:35359)
3-{(2S)-3-(4-acetylpiperazin-1-yl)-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide (CHEBI:42514) is a sulfonamide (CHEBI:35358)
Synonyms  Source
N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)-4-ACETYL-PIPERAZINEPDBeChem
3-{(2S)-3-(4-acetylpiperazin-1-yl)-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamidePDBeChem
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