tert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid

C226H356N24O74 — CID 165009843

IUPACtert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid
SMILESCC(C)(C)OC(=O)CC[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CC[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC(C)(C)OC(=O)CC[C@@H](CC(=O)[C@@H](CCCCNC(=O)COCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)COCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CC[C@@H](CC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CC[C@@H](CC(=O)[C@H](N)CCCCN)C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)ON[C@@H](CCC(=O)O)C(=O)O.[2H]C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C51H94N10O21.C43H64N4O13.C36H50N2O10.C27H52N4O9.C25H28O6.C20H39N3O8.C15H12O2.C9H17NO5/c1-50(2,3)81-47(65)11-10-42(48(66)55-13-16-68-19-24-77-37-38-80-59-49(67)82-51(4,5)6)39-44(62)43(58-46(64)41-79-36-34-76-32-30-74-28-26-72-23-21-70-18-15-57-61-53)9-7-8-12-54-45(63)40-78-35-33-75-31-29-73-27-25-71-22-20-69-17-14-56-60-52;1-42(2,3)59-37(49)21-20-34(38(50)44-23-24-54-25-26-55-27-28-58-47-41(53)60-43(4,5)6)29-36(48)35(46-40(52)57-31-33-17-11-8-12-18-33)19-13-14-22-45-39(51)56-30-32-15-9-7-10-16-32;1-35(2,3)47-31(39)16-15-25(33(41)37-17-18-43-19-20-44-21-22-46-38-34(42)48-36(4,5)6)23-32(40)45-24-30-28-13-9-7-11-26(28)27-12-8-10-14-29(27)30;1-26(2,3)39-23(33)11-10-20(19-22(32)21(29)9-7-8-12-28)24(34)30-13-14-36-15-16-37-17-18-38-31-25(35)40-27(4,5)6;1-25(2,3)31-22(26)13-12-16(24(28)29)14-23(27)30-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;1-19(2,3)30-16(24)8-7-15(21)17(25)22-9-10-27-11-12-28-13-14-29-23-18(26)31-20(4,5)6;16-10-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-9(2,3)15-10-6(8(13)14)4-5-7(11)12/h42-43H,7-41H2,1-6H3,(H,54,63)(H,55,66)(H,58,64)(H,59,67);7-12,15-18,34-35H,13-14,19-31H2,1-6H3,(H,44,50)(H,45,51)(H,46,52)(H,47,53);7-14,25,30H,15-24H2,1-6H3,(H,37,41)(H,38,42);20-21H,7-19,28-29H2,1-6H3,(H,30,34)(H,31,35);4-11,16,21H,12-15H2,1-3H3,(H,28,29);15H,7-14,21H2,1-6H3,(H,22,25)(H,23,26);1-8,10,15H,9H2;6,10H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t42-,43+;34-,35+;25-;20-,21+;16-;15-;;6-/m000001.0/s1/i;;;;;;10D;
InChIKeyJNLXIOKGJWQUGH-YPTNBGHTSA-N
MW4594.43 g/mol
LogP24.54
Rot. Bonds153

About tert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid

tert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid (PubChem CID 165009843) has the molecular formula C226H356N24O74 and a molecular weight of 4594.43 g/mol. Its IUPAC name is tert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid.

Molecular Properties

Compound Nametert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid
PubChem CID165009843
Molecular FormulaC226H356N24O74
Molecular Weight4594.43 g/mol
Exact Mass4591.49
IUPAC Nametert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid
SMILESCC(C)(C)OC(=O)CC[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CC[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC(C)(C)OC(=O)CC[C@@H](CC(=O)[C@@H](CCCCNC(=O)COCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)COCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CC[C@@H](CC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CC[C@@H](CC(=O)[C@H](N)CCCCN)C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)ON[C@@H](CCC(=O)O)C(=O)O.[2H]C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C51H94N10O21.C43H64N4O13.C36H50N2O10.C27H52N4O9.C25H28O6.C20H39N3O8.C15H12O2.C9H17NO5/c1-50(2,3)81-47(65)11-10-42(48(66)55-13-16-68-19-24-77-37-38-80-59-49(67)82-51(4,5)6)39-44(62)43(58-46(64)41-79-36-34-76-32-30-74-28-26-72-23-21-70-18-15-57-61-53)9-7-8-12-54-45(63)40-78-35-33-75-31-29-73-27-25-71-22-20-69-17-14-56-60-52;1-42(2,3)59-37(49)21-20-34(38(50)44-23-24-54-25-26-55-27-28-58-47-41(53)60-43(4,5)6)29-36(48)35(46-40(52)57-31-33-17-11-8-12-18-33)19-13-14-22-45-39(51)56-30-32-15-9-7-10-16-32;1-35(2,3)47-31(39)16-15-25(33(41)37-17-18-43-19-20-44-21-22-46-38-34(42)48-36(4,5)6)23-32(40)45-24-30-28-13-9-7-11-26(28)27-12-8-10-14-29(27)30;1-26(2,3)39-23(33)11-10-20(19-22(32)21(29)9-7-8-12-28)24(34)30-13-14-36-15-16-37-17-18-38-31-25(35)40-27(4,5)6;1-25(2,3)31-22(26)13-12-16(24(28)29)14-23(27)30-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;1-19(2,3)30-16(24)8-7-15(21)17(25)22-9-10-27-11-12-28-13-14-29-23-18(26)31-20(4,5)6;16-10-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-9(2,3)15-10-6(8(13)14)4-5-7(11)12/h42-43H,7-41H2,1-6H3,(H,54,63)(H,55,66)(H,58,64)(H,59,67);7-12,15-18,34-35H,13-14,19-31H2,1-6H3,(H,44,50)(H,45,51)(H,46,52)(H,47,53);7-14,25,30H,15-24H2,1-6H3,(H,37,41)(H,38,42);20-21H,7-19,28-29H2,1-6H3,(H,30,34)(H,31,35);4-11,16,21H,12-15H2,1-3H3,(H,28,29);15H,7-14,21H2,1-6H3,(H,22,25)(H,23,26);1-8,10,15H,9H2;6,10H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t42-,43+;34-,35+;25-;20-,21+;16-;15-;;6-/m000001.0/s1/i;;;;;;10D;
InChIKeyJNLXIOKGJWQUGH-YPTNBGHTSA-N
XLogP24.54
TPSA1299.41 Ų
H-Bond Donors21
H-Bond Acceptors77
Rotatable Bonds153
Heavy Atoms324
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004594.43
LogP ≤ 524.54
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1077

Analyze tert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid 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

benzyl N-[(5S)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxo-9-(phenylmethoxycarbonylamino)nonan-5-yl]carbamate;(2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoic acid;tert-butyl N-[2-[2-[(5S)-5,9-bis[[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxononoxy]ethoxy]ethoxy]carbamate;tert-butyl N-[2-[2-[(5S)-5,9-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxononoxy]ethoxy]ethoxy]carbamate;tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(5S)-5,9-diamino-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
CID 165053913
tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate
CID 152944153
tert-butyl (2R,5S)-5-[3-[2-(2-azidoethoxy)ethoxy]propanoylamino]-9-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-[4-(phenylmethoxycarbonylamino)butyl]nonanoate
CID 162224366
benzyl N-[(5S,8R)-8-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propylcarbamoyl]-6-oxo-1,12-bis(phenylmethoxycarbonylamino)dodecan-5-yl]carbamate;benzyl N-[(5S,8R)-6-oxo-8-[3-[2-[2-[3-[3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-1,12-bis(phenylmethoxycarbonylamino)dodecan-5-yl]carbamate;(2R,5S)-5,9-diamino-2-(4-aminobutyl)-N-[3-[2-[2-[3-[3-[2-[2-[2-[2-[3-(butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-oxononanamide;(2R,5S)-5,9-diamino-2-(4-aminobutyl)-N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-4-oxononanamide
CID 157371163
(2S)-6-[[(2S)-2,5-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]pentanoyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 171569386
(2S)-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 171541580
dibenzyl 2-[[2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]hexanoylamino]-5-oxopentanoyl]amino]pentanedioate
CID 166964600
tert-butyl 3-[2-[2-[2-[2-[[6-(phenylmethoxycarbonylamino)-2-[4-(phenylmethoxycarbonylamino)butanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 171762661
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]hexanoic acid
CID 155885797
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]-4-oxobutanoic acid
CID 177277679
tert-butyl N-[2-[2-[2-[2-[2-[2-[[(2R,5S)-5,9-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[4-[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]butyl]-4-oxononanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 158992633
(2R,5S)-5-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4-oxo-6-phenylhexanoic acid
CID 158609147

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid?
The IUPAC name of tert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid (CID 165009843) is tert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid.
What is the SMILES notation for tert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid?
The canonical SMILES for tert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid is CC(C)(C)OC(=O)CC[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CC[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC(C)(C)OC(=O)CC[C@@H](CC(=O)[C@@H](CCCCNC(=O)COCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)COCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CC[C@@H](CC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CC[C@@H](CC(=O)[C@H](N)CCCCN)C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.CC(C)(C)ON[C@@H](CCC(=O)O)C(=O)O.[2H]C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of tert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid?
The InChIKey is JNLXIOKGJWQUGH-YPTNBGHTSA-N. The full InChI is InChI=1S/C51H94N10O21.C43H64N4O13.C36H50N2O10.C27H52N4O9.C25H28O6.C20H39N3O8.C15H12O2.C9H17NO5/c1-50(2,3)81-47(65)11-10-42(48(66)55-13-16-68-19-24-77-37-38-80-59-49(67)82-51(4,5)6)39-44(62)43(58-46(64)41-79-36-34-76-32-30-74-28-26-72-23-21-70-18-15-57-61-53)9-7-8-12-54-45(63)40-78-35-33-75-31-29-73-27-25-71-22-20-69-17-14-56-60-52;1-42(2,3)59-37(49)21-20-34(38(50)44-23-24-54-25-26-55-27-28-58-47-41(53)60-43(4,5)6)29-36(48)35(46-40(52)57-31-33-17-11-8-12-18-33)19-13-14-22-45-39(51)56-30-32-15-9-7-10-16-32;1-35(2,3)47-31(39)16-15-25(33(41)37-17-18-43-19-20-44-21-22-46-38-34(42)48-36(4,5)6)23-32(40)45-24-30-28-13-9-7-11-26(28)27-12-8-10-14-29(27)30;1-26(2,3)39-23(33)11-10-20(19-22(32)21(29)9-7-8-12-28)24(34)30-13-14-36-15-16-37-17-18-38-31-25(35)40-27(4,5)6;1-25(2,3)31-22(26)13-12-16(24(28)29)14-23(27)30-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;1-19(2,3)30-16(24)8-7-15(21)17(25)22-9-10-27-11-12-28-13-14-29-23-18(26)31-20(4,5)6;16-10-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-9(2,3)15-10-6(8(13)14)4-5-7(11)12/h42-43H,7-41H2,1-6H3,(H,54,63)(H,55,66)(H,58,64)(H,59,67);7-12,15-18,34-35H,13-14,19-31H2,1-6H3,(H,44,50)(H,45,51)(H,46,52)(H,47,53);7-14,25,30H,15-24H2,1-6H3,(H,37,41)(H,38,42);20-21H,7-19,28-29H2,1-6H3,(H,30,34)(H,31,35);4-11,16,21H,12-15H2,1-3H3,(H,28,29);15H,7-14,21H2,1-6H3,(H,22,25)(H,23,26);1-8,10,15H,9H2;6,10H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t42-,43+;34-,35+;25-;20-,21+;16-;15-;;6-/m000001.0/s1/i;;;;;;10D;.
What are the key properties of tert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid?
tert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid has a molecular weight of 4594.43 g/mol, XLogP of 24.54, 153 rotatable bonds, 21 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-amino-5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylamino]-5-oxopentanoate;tert-butyl (4S,7R)-7,11-bis[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;tert-butyl (4S,7R)-7,11-diamino-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxoundecanoate;6-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3S)-3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]hexanedioate;tert-butyl (4S,7R)-4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethylcarbamoyl]-6-oxo-7,11-bis(phenylmethoxycarbonylamino)undecanoate;(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl deuterioformate;(2S)-2-[(2-methylpropan-2-yl)oxyamino]pentanedioic acid is sourced from PubChem (CID 165009843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).