(3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one

C203H342N16O43 — CID 157353064

IUPAC(3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one
SMILESCC(C)(CN)C(N)=O.CC[C@@H]1C[C@@H]([C@H](C[C@H](Cc2ccc(OC)c(OCCCOC)c2)C(C)C)/N=N/N)OC1=O.CN[C@@H](C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)[C@@H](O)C[C@H](C(=O)CCC(C)(C)C(N)=O)C(C)C.CN[C@@H](C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)[C@@H]1C[C@@H](C(C)C)C(=O)O1.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)CCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)CCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N=[N+]=[N-])[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC.O=CO/C=C/C(=O)O
InChIInChI=1S/C32H56N2O6.2C31H54N2O6.C26H43NO5.C25H39N3O5.C25H41NO5.C24H39N3O5.C5H12N2O.C4H4O4/c1-21(2)24(17-23-11-12-29(39-9)30(18-23)40-16-10-15-38-8)19-26(34-7)28(36)20-25(22(3)4)27(35)13-14-32(5,6)31(33)37;2*1-20(2)23(16-22-10-11-28(38-8)29(17-22)39-15-9-14-37-7)18-25(32)27(35)19-24(21(3)4)26(34)12-13-31(5,6)30(33)36;1-17(2)20(15-22(27-5)24-16-21(18(3)4)26(28)32-24)13-19-9-10-23(30-7)25(14-19)31-12-8-11-29-6;1-16(2)19(14-21(27-28-26)23-15-20(17(3)4)25(29)33-23)12-18-8-9-22(31-6)24(13-18)32-11-7-10-30-5;1-16(2)19(14-21(26)23-15-20(17(3)4)25(27)31-23)12-18-8-9-22(29-6)24(13-18)30-11-7-10-28-5;1-6-18-15-22(32-24(18)28)20(26-27-25)14-19(16(2)3)12-17-8-9-21(30-5)23(13-17)31-11-7-10-29-4;1-5(2,3-6)4(7)8;5-3-8-2-1-4(6)7/h11-12,18,21-22,24-26,28,34,36H,10,13-17,19-20H2,1-9H3,(H2,33,37);2*10-11,17,20-21,23-25,27,35H,9,12-16,18-19,32H2,1-8H3,(H2,33,36);9-10,14,17-18,20-22,24,27H,8,11-13,15-16H2,1-7H3;8-9,13,16-17,19-21,23H,7,10-12,14-15H2,1-6H3;8-9,13,16-17,19-21,23H,7,10-12,14-15,26H2,1-6H3;8-9,13,16,18-20,22H,6-7,10-12,14-15H2,1-5H3,(H2,25,26);3,6H2,1-2H3,(H2,7,8);1-3H,(H,6,7)/b;;;;;;;;2-1+/t24-,25-,26-,28-;2*23-,24-,25-,27-;20-,21-,22-,24-;2*19-,20-,21-,23-;18-,19+,20+,22+;;/m0000001../s1
InChIKeyBHTKKFLKEPJWLW-QBJSGKSMSA-N
MW3695.04 g/mol
LogP31.71
Rot. Bonds121

About (3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one

(3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one (PubChem CID 157353064) has the molecular formula C203H342N16O43 and a molecular weight of 3695.04 g/mol. Its IUPAC name is (3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one
PubChem CID157353064
Molecular FormulaC203H342N16O43
Molecular Weight3695.04 g/mol
Exact Mass3692.51
IUPAC Name(3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one
SMILESCC(C)(CN)C(N)=O.CC[C@@H]1C[C@@H]([C@H](C[C@H](Cc2ccc(OC)c(OCCCOC)c2)C(C)C)/N=N/N)OC1=O.CN[C@@H](C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)[C@@H](O)C[C@H](C(=O)CCC(C)(C)C(N)=O)C(C)C.CN[C@@H](C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)[C@@H]1C[C@@H](C(C)C)C(=O)O1.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)CCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)CCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N=[N+]=[N-])[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC.O=CO/C=C/C(=O)O
InChIInChI=1S/C32H56N2O6.2C31H54N2O6.C26H43NO5.C25H39N3O5.C25H41NO5.C24H39N3O5.C5H12N2O.C4H4O4/c1-21(2)24(17-23-11-12-29(39-9)30(18-23)40-16-10-15-38-8)19-26(34-7)28(36)20-25(22(3)4)27(35)13-14-32(5,6)31(33)37;2*1-20(2)23(16-22-10-11-28(38-8)29(17-22)39-15-9-14-37-7)18-25(32)27(35)19-24(21(3)4)26(34)12-13-31(5,6)30(33)36;1-17(2)20(15-22(27-5)24-16-21(18(3)4)26(28)32-24)13-19-9-10-23(30-7)25(14-19)31-12-8-11-29-6;1-16(2)19(14-21(27-28-26)23-15-20(17(3)4)25(29)33-23)12-18-8-9-22(31-6)24(13-18)32-11-7-10-30-5;1-16(2)19(14-21(26)23-15-20(17(3)4)25(27)31-23)12-18-8-9-22(29-6)24(13-18)30-11-7-10-28-5;1-6-18-15-22(32-24(18)28)20(26-27-25)14-19(16(2)3)12-17-8-9-21(30-5)23(13-17)31-11-7-10-29-4;1-5(2,3-6)4(7)8;5-3-8-2-1-4(6)7/h11-12,18,21-22,24-26,28,34,36H,10,13-17,19-20H2,1-9H3,(H2,33,37);2*10-11,17,20-21,23-25,27,35H,9,12-16,18-19,32H2,1-8H3,(H2,33,36);9-10,14,17-18,20-22,24,27H,8,11-13,15-16H2,1-7H3;8-9,13,16-17,19-21,23H,7,10-12,14-15H2,1-6H3;8-9,13,16-17,19-21,23H,7,10-12,14-15,26H2,1-6H3;8-9,13,16,18-20,22H,6-7,10-12,14-15H2,1-5H3,(H2,25,26);3,6H2,1-2H3,(H2,7,8);1-3H,(H,6,7)/b;;;;;;;;2-1+/t24-,25-,26-,28-;2*23-,24-,25-,27-;20-,21-,22-,24-;2*19-,20-,21-,23-;18-,19+,20+,22+;;/m0000001../s1
InChIKeyBHTKKFLKEPJWLW-QBJSGKSMSA-N
XLogP31.71
TPSA874.53 Ų
H-Bond Donors15
H-Bond Acceptors51
Rotatable Bonds121
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003695.04
LogP ≤ 531.71
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1051

Analyze (3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2,2-dimethylpropanamide;tert-butyl N-[(3S,5S,6S,8S)-13-amino-6-hydroxy-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,12,12-trimethyl-9,13-dioxo-8-propan-2-yltridecan-5-yl]carbamate;tert-butyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate;carbon dioxide;heptane;methane
CID 159589906
5-[1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one
CID 20725260
(7S,9S,10S,12S)-10-amino-9-hydroxy-12-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3,3,13-trimethyl-7-propan-2-yltetradecane-2,6-dione
CID 58153802
(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-(3-hydroxypropoxy)-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one
CID 142658407
tert-butyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate
CID 11649505
(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-(3-hydroxypropoxy)-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one
CID 54012070
bis((2R,4R,5R,7S)-5-amino-N-[2-carbamoyl-3,3,3-trideuterio-2-(trideuteriomethyl)propyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide);(E)-but-2-enedioic acid
CID 171382626
(4S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanoic acid
CID 69124922
(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrate
CID 56656057
(2S,4S,5R,7S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-azido-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 139024913
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-azido-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 20725263
(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;2,3-dihydroxybutanedioic acid
CID 46869669

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one?
The IUPAC name of (3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one (CID 157353064) is (3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one?
The canonical SMILES for (3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one is CC(C)(CN)C(N)=O.CC[C@@H]1C[C@@H]([C@H](C[C@H](Cc2ccc(OC)c(OCCCOC)c2)C(C)C)/N=N/N)OC1=O.CN[C@@H](C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)[C@@H](O)C[C@H](C(=O)CCC(C)(C)C(N)=O)C(C)C.CN[C@@H](C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)[C@@H]1C[C@@H](C(C)C)C(=O)O1.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)CCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)CCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N=[N+]=[N-])[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC.O=CO/C=C/C(=O)O.
What is the InChIKey of (3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one?
The InChIKey is BHTKKFLKEPJWLW-QBJSGKSMSA-N. The full InChI is InChI=1S/C32H56N2O6.2C31H54N2O6.C26H43NO5.C25H39N3O5.C25H41NO5.C24H39N3O5.C5H12N2O.C4H4O4/c1-21(2)24(17-23-11-12-29(39-9)30(18-23)40-16-10-15-38-8)19-26(34-7)28(36)20-25(22(3)4)27(35)13-14-32(5,6)31(33)37;2*1-20(2)23(16-22-10-11-28(38-8)29(17-22)39-15-9-14-37-7)18-25(32)27(35)19-24(21(3)4)26(34)12-13-31(5,6)30(33)36;1-17(2)20(15-22(27-5)24-16-21(18(3)4)26(28)32-24)13-19-9-10-23(30-7)25(14-19)31-12-8-11-29-6;1-16(2)19(14-21(27-28-26)23-15-20(17(3)4)25(29)33-23)12-18-8-9-22(31-6)24(13-18)32-11-7-10-30-5;1-16(2)19(14-21(26)23-15-20(17(3)4)25(27)31-23)12-18-8-9-22(29-6)24(13-18)30-11-7-10-28-5;1-6-18-15-22(32-24(18)28)20(26-27-25)14-19(16(2)3)12-17-8-9-21(30-5)23(13-17)31-11-7-10-29-4;1-5(2,3-6)4(7)8;5-3-8-2-1-4(6)7/h11-12,18,21-22,24-26,28,34,36H,10,13-17,19-20H2,1-9H3,(H2,33,37);2*10-11,17,20-21,23-25,27,35H,9,12-16,18-19,32H2,1-8H3,(H2,33,36);9-10,14,17-18,20-22,24,27H,8,11-13,15-16H2,1-7H3;8-9,13,16-17,19-21,23H,7,10-12,14-15H2,1-6H3;8-9,13,16-17,19-21,23H,7,10-12,14-15,26H2,1-6H3;8-9,13,16,18-20,22H,6-7,10-12,14-15H2,1-5H3,(H2,25,26);3,6H2,1-2H3,(H2,7,8);1-3H,(H,6,7)/b;;;;;;;;2-1+/t24-,25-,26-,28-;2*23-,24-,25-,27-;20-,21-,22-,24-;2*19-,20-,21-,23-;18-,19+,20+,22+;;/m0000001../s1.
What are the key properties of (3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one?
(3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one has a molecular weight of 3695.04 g/mol, XLogP of 31.71, 121 rotatable bonds, 15 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(1S,3S)-1-(aminodiazenyl)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-ethyloxolan-2-one;3-amino-2,2-dimethylpropanamide;bis((6S,8S,9S,11S)-9-amino-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-5-oxo-6-propan-2-yltridecanamide);(3S,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(3S,5S)-5-[(1S,3S)-1-azido-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one;(E)-3-formyloxyprop-2-enoic acid;(6S,8S,9S,11S)-8-hydroxy-11-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,2,12-trimethyl-9-(methylamino)-5-oxo-6-propan-2-yltridecanamide;(3S,5S)-5-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-(methylamino)pentyl]-3-propan-2-yloxolan-2-one is sourced from PubChem (CID 157353064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).