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L-Prolinamide, N,N-dimethyl-L-phenylalanyl-N-[3-(1-methylethyl)-5,8-dioxo-7-(phenylmethyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, [3R-(3R*,4S*,7S*)]-
SpectraBase Compound ID 1tKSkx75rLD
InChI InChI=1S/C39H47N5O5/c1-26(2)35-34(42-37(46)32-16-11-23-44(32)39(48)33(43(3)4)25-29-14-9-6-10-15-29)38(47)41-31(24-28-12-7-5-8-13-28)36(45)40-22-21-27-17-19-30(49-35)20-18-27/h5-10,12-15,17-22,26,31-35H,11,16,23-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b22-21-
InChIKey OXKIHHHEKASJFL-DQRAZIAOSA-N
Mol Weight 665.8 g/mol
Molecular Formula C39H47N5O5
Exact Mass 665.35772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXjTZgqYgrK
Name L-Prolinamide, N,N-dimethyl-L-phenylalanyl-N-[3-(1-methylethyl)-5,8-dioxo-7-(phenylmethyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, [3R-(3R*,4S*,7S*)]-
CAS Registry Number 14051-13-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H47N5O5
InChI InChI=1S/C39H47N5O5/c1-26(2)35-34(42-37(46)32-16-11-23-44(32)39(48)33(43(3)4)25-29-14-9-6-10-15-29)38(47)41-31(24-28-12-7-5-8-13-28)36(45)40-22-21-27-17-19-30(49-35)20-18-27/h5-10,12-15,17-22,26,31-35H,11,16,23-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b22-21-
InChIKey OXKIHHHEKASJFL-DQRAZIAOSA-N
Molecular Weight 665.835 g/mol
SMILES N1C(C(Cc2ccccc2)NC(C(C(C(C)C)Oc2ccc(\C=C/1)cc2)NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)N(C)C)=O)=O
SPLASH splash10-0002-3900000000-2f13c3f1a006e8e175d0
Source of Spectrum T-67-5211-0
Synonyms N-[7-Benzyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-[2-(dimethylamino)-3-phenylpropanoyl]-2-pyrrolidinecarboxamide 1-[2-(dimethylamino)-1-oxo-3-phenylpropyl]-N-[(2Z)-5,8-dioxo-6-(phenylmethyl)-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-2-pyrrolidinecarboxamide 2-Pyrrolidinecarboxamide, N-(7-benzyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl)-1-(N,N-dimethyl-3-phenylalanyl)- N-[(2Z)-5,8-bis(oxidanylidene)-6-(phenylmethyl)-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-1-[2-(dimethylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide N-[(2Z)-6-benzyl-10-isopropyl-5,8-diketo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-1-[2-(dimethylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide N-[(2Z)-6-benzyl-10-isopropyl-5,8-dioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-1-[2-(dimethylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide N-[(2Z)-6-benzyl-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-1-[2-(dimethylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Scutianine Scutianine A
Wiley ID 79508