(Sp-4-4)-[N-[phenyl[2-[[[(1R,2S)-1-(phenylmethyl)-2-pyrrolidinyl-κN]carbonyl]amino-κN]phenyl]methylene]glycinato(2-)-κN,κO]nickel

C₂₇H₂₅N₃NiO₃CAS 96293-19-5498.21 g/mol

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Carboxylic acid Imine Tertiary amine

Properties

Molecular formula: C₂₇H₂₅N₃NiO₃
Molar mass: 498.21 g/mol
Exact mass: 497.1249 Da
Melting point: 210–213 °C
logP: 3.47Crippen estimate
Polar surface area: 86.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

96293-19-5

SMILES

O=C([O-])CN=C(c1ccccc1)c1ccccc1[N-]C(=O)[C@@H]1CCCN1Cc1ccccc1.[Ni+2]

InChIKey

AXOAXZULMRICBL-JIDHJSLPSA-L

InChI

InChI=1S/C27H27N3O3.Ni/c31-25(32)18-28-26(21-12-5-2-6-13-21)22-14-7-8-15-23(22)29-27(33)24-16-9-17-30(24)19-20-10-3-1-4-11-20;/h1-8,10-15,24H,9,16-19H2,(H2,28,29,31,32,33);/q;+2/p-2/t24-;/m0./s1

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Names and synonyms

3 names

Nickel, [N-[phenyl[2-[[[(1R,2S)-1-(phenylmethyl)-2-pyrrolidinyl-κN]carbonyl]amino-κN]phenyl]methylene]glycinato(2-)-κN,κO]-, (SP-4-4)-
Nickel, [N-[phenyl[2-[[[1-(phenylmethyl)-2-pyrrolidinyl]carbonyl]amino]phenyl]methylene]glycinato(2-)-N,N′,N′′,O1]-, [SP-4-4-(1R-cis)]-
Glycine, N-[phenyl[2-[[[1-(phenylmethyl)-2-pyrrolidinyl]carbonyl]amino]phenyl]methylene]-, nickel complex, (S)-

Work with (Sp-4-4)-[N-[phenyl[2-[[[(1R,2S)-1-(phenylmethyl)-2-pyrrolidinyl-κN]carbonyl]amino-κN]phenyl]methylene]glycinato(2-)-κN,κO]nickel

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Similar compounds

1-Benzyl-2-(methoxycarbonyl)azetidine18085-37-534 % similar (Benzyloxycarbonyl)glycyl-L-proline1160-54-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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