![(S)-2-Amino-5-[thiophen-2-yl]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone](/api/spectrum/Jzb3KcfNY62/structure.png?h=300&w=458 "(S)-2-Amino-5-[thiophen-2-yl]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone")
| SpectraBase Compound ID | 4y1NuRPP0OD |
|---|---|
| InChI | InChI=1S/C34H31N3O3S.Ni/c38-33(31-21-10-22-37(31)24-25-12-3-1-4-13-25)36-29-19-8-7-18-28(29)32(26-14-5-2-6-15-26)35-30(34(39)40)20-9-16-27-17-11-23-41-27;/h1-8,11-15,17-19,23,30-31H,10,20-22,24H2,(H2,35,36,38,39,40);/q;+2/p-2/t30-,31-;/m0./s1 |
| InChIKey | ACWDKMRSPBPKNW-PNXDLZEOSA-L |
| Mol Weight | 618.4 g/mol |
| Molecular Formula | C34H29N3NiO3S |
| Exact Mass | 617.128305 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jzb3KcfNY62 |
|---|---|
| Name | (S)-2-Amino-5-[thiophen-2-yl]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H29N3NiO3S |
| InChI | InChI=1S/C34H31N3O3S.Ni/c38-33(31-21-10-22-37(31)24-25-12-3-1-4-13-25)36-29-19-8-7-18-28(29)32(26-14-5-2-6-15-26)35-30(34(39)40)20-9-16-27-17-11-23-41-27;/h1-8,11-15,17-19,23,30-31H,10,20-22,24H2,(H2,35,36,38,39,40);/q;+2/p-2/t30-,31-;/m0./s1 |
| InChIKey | ACWDKMRSPBPKNW-PNXDLZEOSA-L |
| Molecular Weight | 618.377 g/mol |
| SMILES | [Ni+2].c1ccc(c(c1)[N-]C(=O)[C@]1(N(CCC1)Cc1ccccc1)[H])C(=N[C@](C([O-])=O)(CC#Cc1sccc1)[H])c1ccccc1 |
| SPLASH | splash10-03xu-7930013000-3255e2b3119c7034ed25 |
| Source of Spectrum | RSA-5-107407-2f |
| Synonyms | Nickel(II) (benzyl-L-prolyl)(2-((((S)-1-carboxylato-4-(thiophen-2-yl)but-3-yn-1-yl)imino)(phenyl)methyl)phenyl)amide |
| Wiley ID | 1802769 |