(1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide (Q27447761)

BIC-ARG-EOA (English)

18 October 2016

chemical formula

C₃₀H₄₂N₈O₄

1 reference

BIC-ARG-EOA (English)

18 October 2016

canonical SMILES

C1CN2CCC(C(=O)N2C1C(=O)NC(CCCN=C(N)N)C(C(=O)NCCC3=CC=CC=C3)O)(CC4=CC=CC=C4)N

1 reference

BIC-ARG-EOA (English)

18 October 2016

isomeric SMILES

C1CN2CC[C@](C(=O)N2[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)[C@@H](C(=O)NCCC3=CC=CC=C3)O)(CC4=CC=CC=C4)N

1 reference

BIC-ARG-EOA (English)

InChI=1S/C30H42N8O4/c31-29(32)35-16-7-12-23(25(39)27(41)34-17-13-21-8-3-1-4-9-21)36-26(40)24-14-18-37-19-15-30(33,28(42)38(24)37)20-22-10-5-2-6-11-22/h1-6,8-11,23-25,39H,7,12-20,33H2,(H,34,41)(H,36,40)(H4,31,32,35)/t23-,24-,25-,30+/m0/s1

18 October 2016

Identifiers

InChI

1 reference

BIC-ARG-EOA (English)

BCHJOEWNJFXZEK-DNHJLFCISA-N

18 October 2016

InChIKey

1 reference

BIC-ARG-EOA (English)

18 October 2016

1 reference

(1S,7S)-7-Amino-7-benzyl-N-{(2S,3S)-6-[(diaminomethylene)amino]-2-hydroxy-1-oxo-1-[(2-phenylethyl)amino]-3-hexanyl}-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide (English)

18 October 2016

1 reference