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CHEBI:39860 - 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE)

Default Structure
ChEBI IDCHEBI:39860
ChEBI Name2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE)
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC30H36N6O5S
Net Charge0
Average Mass592.722
Monoisotopic Mass592.24679
SMILES[H]/N=C(/c1c([H])c([H])c(C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])S(=O)(=O)C([H])([H])C([H])([H])[H])C([H])([H])c2c([H])c([H])c(-c3c([H])c([H])c([H])c([H])c3[H])c([H])c2[H])C([H])([H])C([H])([H])C(=O)N([H])[H])c([H])c1[H])N([H])[H]
InChIInChI=1S/C30H36N6O5S/c1-2-42(40,41)36-26(18-20-8-12-23(13-9-20)22-6-4-3-5-7-22)30(39)35-25(16-17-27(31)37)29(38)34-19-21-10-14-24(15-11-21)28(32)33/h3-15,25-26,36H,2,16-19H2,1H3,(H2,31,37)(H3,32,33)(H,34,38)(H,35,39)/t25-,26+/m0/s1
InChIKeyDSXLGZNVVMZNSK-IZZNHLLZSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE) (CHEBI:39860) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE)PDBeChem
(2S)-2-({(2R)-3-biphenyl-4-yl-2-[(ethylsulfonyl)amino]propanoyl}amino)-N~1~-(4-carbamimidoylbenzyl)pentanediamide (non-preferred name)PDBeChem
Manual XrefsDatabases
3BPPDBeChem