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N-[(1S,5S)-1-benzyl-5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-propanoyl-amino]-6-phenyl-hexyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide
SpectraBase Compound ID 9Ou1kl1u2Ij
InChI InChI=1S/C37H56N4O4/c1-5-36(42)40(38-24-14-22-34(38)28-44-3)32(26-30-16-9-7-10-17-30)20-13-21-33(27-31-18-11-8-12-19-31)41(37(43)6-2)39-25-15-23-35(39)29-45-4/h7-12,16-19,32-35H,5-6,13-15,20-29H2,1-4H3/t32-,33-,34-,35-/m0/s1
InChIKey UTPFQWFTNQHWRR-BBACVFHCSA-N
Mol Weight 620.9 g/mol
Molecular Formula C37H56N4O4
Exact Mass 620.430156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKQYaYt32oK
Name N-[(1S,5S)-1-benzyl-5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-propanoyl-amino]-6-phenyl-hexyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide
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Formula C37H56N4O4
InChI InChI=1S/C37H56N4O4/c1-5-36(42)40(38-24-14-22-34(38)28-44-3)32(26-30-16-9-7-10-17-30)20-13-21-33(27-31-18-11-8-12-19-31)41(37(43)6-2)39-25-15-23-35(39)29-45-4/h7-12,16-19,32-35H,5-6,13-15,20-29H2,1-4H3/t32-,33-,34-,35-/m0/s1
InChIKey UTPFQWFTNQHWRR-BBACVFHCSA-N
Molecular Weight 620.879 g/mol
SMILES [C@](N(N1[C@](COC)(CCC1)[H])C(=O)CC)(Cc1ccccc1)(CCC[C@](N(N1[C@](COC)(CCC1)[H])C(=O)CC)(Cc1ccccc1)[H])[H]
SPLASH splash10-01ox-6900000000-b66713d1e6758b996f30
Source of Spectrum CV-2002-2553-3
Synonyms N-[(1S,5S)-1-benzyl-5-[[(2S)-2-(methoxymethyl)pyrrolidino]-propionyl-amino]-6-phenyl-hexyl]-N-[(2S)-2-(methoxymethyl)pyrrolidino]propionamide N-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-N-[(2S,6S)-6-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-(1-oxopropyl)amino]-1,7-diphenylheptan-2-yl]propanamide N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2S,6S)-6-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-propanoyl-amino]-1,7-diphenyl-heptan-2-yl]propanamide
Wiley ID 1610640