methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate

C269H300N26O43S8 — CID 160516882

IUPACmethyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc2ncsc2c1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(CC1CC1)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(Cc1cn[nH]c1)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(Cc1cncnc1C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(Cc1cnoc1)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H43N5O6S.C39H43N3O6S2.C39H47N3O6S.C38H41N5O6S.C38H40N4O7S.C38H43N3O6S.C37H43N3O6S/c1-28-33(24-42-27-43-28)25-45(52(49,50)36-21-18-34(41)19-22-36)35(26-46)20-17-29-11-9-10-16-32(29)23-37(47)39(44-40(48)51-2)38(30-12-5-3-6-13-30)31-14-7-4-8-15-31;1-27(2)24-42(50(46,47)33-20-21-34-36(23-33)49-26-40-34)32(25-43)19-18-28-12-10-11-17-31(28)22-35(44)38(41-39(45)48-3)37(29-13-6-4-7-14-29)30-15-8-5-9-16-30;1-28(2)24-25-42(49(46,47)35-22-19-33(40)20-23-35)34(27-43)21-18-29-12-10-11-17-32(29)26-36(44)38(41-39(45)48-3)37(30-13-6-4-7-14-30)31-15-8-5-9-16-31;1-49-38(46)42-37(36(29-11-4-2-5-12-29)30-13-6-3-7-14-30)35(45)22-31-15-9-8-10-28(31)16-19-33(26-44)43(25-27-23-40-41-24-27)50(47,48)34-20-17-32(39)18-21-34;1-48-38(45)41-37(36(29-11-4-2-5-12-29)30-13-6-3-7-14-30)35(44)22-31-15-9-8-10-28(31)16-19-33(25-43)42(24-27-23-40-49-26-27)50(46,47)34-20-17-32(39)18-21-34;1-47-38(44)40-37(36(29-11-4-2-5-12-29)30-13-6-3-7-14-30)35(43)24-31-15-9-8-10-28(31)18-21-33(26-42)41(25-27-16-17-27)48(45,46)34-22-19-32(39)20-23-34;1-26(2)40(47(44,45)33-22-19-31(38)20-23-33)32(25-41)21-18-27-12-10-11-17-30(27)24-34(42)36(39-37(43)46-3)35(28-13-6-4-7-14-28)29-15-8-5-9-16-29/h3-16,18-19,21-22,24,27,35,38-39,46H,17,20,23,25-26,41H2,1-2H3,(H,44,48);4-17,20-21,23,26-27,32,37-38,43H,18-19,22,24-25H2,1-3H3,(H,41,45);4-17,19-20,22-23,28,34,37-38,43H,18,21,24-27,40H2,1-3H3,(H,41,45);2-15,17-18,20-21,23-24,33,36-37,44H,16,19,22,25-26,39H2,1H3,(H,40,41)(H,42,46);2-15,17-18,20-21,23,26,33,36-37,43H,16,19,22,24-25,39H2,1H3,(H,41,45);2-15,19-20,22-23,27,33,36-37,42H,16-18,21,24-26,39H2,1H3,(H,40,44);4-17,19-20,22-23,26,32,35-36,41H,18,21,24-25,38H2,1-3H3,(H,39,43)/t35-,39+;32-,38+;34-,38+;3*33-,37+;32-,36+/m0000000/s1
InChIKeyQTTSFIDFBUAGOH-OVSRJXSMSA-N
MW4842.03 g/mol
LogP38.41
Rot. Bonds112

About methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate

methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate (PubChem CID 160516882) has the molecular formula C269H300N26O43S8 and a molecular weight of 4842.03 g/mol. Its IUPAC name is methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate
PubChem CID160516882
Molecular FormulaC269H300N26O43S8
Molecular Weight4842.03 g/mol
Exact Mass4837.99
IUPAC Namemethyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc2ncsc2c1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(CC1CC1)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(Cc1cn[nH]c1)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(Cc1cncnc1C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(Cc1cnoc1)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H43N5O6S.C39H43N3O6S2.C39H47N3O6S.C38H41N5O6S.C38H40N4O7S.C38H43N3O6S.C37H43N3O6S/c1-28-33(24-42-27-43-28)25-45(52(49,50)36-21-18-34(41)19-22-36)35(26-46)20-17-29-11-9-10-16-32(29)23-37(47)39(44-40(48)51-2)38(30-12-5-3-6-13-30)31-14-7-4-8-15-31;1-27(2)24-42(50(46,47)33-20-21-34-36(23-33)49-26-40-34)32(25-43)19-18-28-12-10-11-17-31(28)22-35(44)38(41-39(45)48-3)37(29-13-6-4-7-14-29)30-15-8-5-9-16-30;1-28(2)24-25-42(49(46,47)35-22-19-33(40)20-23-35)34(27-43)21-18-29-12-10-11-17-32(29)26-36(44)38(41-39(45)48-3)37(30-13-6-4-7-14-30)31-15-8-5-9-16-31;1-49-38(46)42-37(36(29-11-4-2-5-12-29)30-13-6-3-7-14-30)35(45)22-31-15-9-8-10-28(31)16-19-33(26-44)43(25-27-23-40-41-24-27)50(47,48)34-20-17-32(39)18-21-34;1-48-38(45)41-37(36(29-11-4-2-5-12-29)30-13-6-3-7-14-30)35(44)22-31-15-9-8-10-28(31)16-19-33(25-43)42(24-27-23-40-49-26-27)50(46,47)34-20-17-32(39)18-21-34;1-47-38(44)40-37(36(29-11-4-2-5-12-29)30-13-6-3-7-14-30)35(43)24-31-15-9-8-10-28(31)18-21-33(26-42)41(25-27-16-17-27)48(45,46)34-22-19-32(39)20-23-34;1-26(2)40(47(44,45)33-22-19-31(38)20-23-33)32(25-41)21-18-27-12-10-11-17-30(27)24-34(42)36(39-37(43)46-3)35(28-13-6-4-7-14-28)29-15-8-5-9-16-29/h3-16,18-19,21-22,24,27,35,38-39,46H,17,20,23,25-26,41H2,1-2H3,(H,44,48);4-17,20-21,23,26-27,32,37-38,43H,18-19,22,24-25H2,1-3H3,(H,41,45);4-17,19-20,22-23,28,34,37-38,43H,18,21,24-27,40H2,1-3H3,(H,41,45);2-15,17-18,20-21,23-24,33,36-37,44H,16,19,22,25-26,39H2,1H3,(H,40,41)(H,42,46);2-15,17-18,20-21,23,26,33,36-37,43H,16,19,22,24-25,39H2,1H3,(H,41,45);2-15,19-20,22-23,27,33,36-37,42H,16-18,21,24-26,39H2,1H3,(H,40,44);4-17,19-20,22-23,26,32,35-36,41H,18,21,24-25,38H2,1-3H3,(H,39,43)/t35-,39+;32-,38+;34-,38+;3*33-,37+;32-,36+/m0000000/s1
InChIKeyQTTSFIDFBUAGOH-OVSRJXSMSA-N
XLogP38.41
TPSA1040.57 Ų
H-Bond Donors21
H-Bond Acceptors55
Rotatable Bonds112
Heavy Atoms346
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004842.03
LogP ≤ 538.41
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1055

Analyze methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate (CID 160516882) is methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate is COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc2ncsc2c1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(CC1CC1)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(Cc1cn[nH]c1)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(Cc1cncnc1C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.COC(=O)N[C@H](C(=O)Cc1ccccc1CC[C@@H](CO)N(Cc1cnoc1)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate?
The InChIKey is QTTSFIDFBUAGOH-OVSRJXSMSA-N. The full InChI is InChI=1S/C40H43N5O6S.C39H43N3O6S2.C39H47N3O6S.C38H41N5O6S.C38H40N4O7S.C38H43N3O6S.C37H43N3O6S/c1-28-33(24-42-27-43-28)25-45(52(49,50)36-21-18-34(41)19-22-36)35(26-46)20-17-29-11-9-10-16-32(29)23-37(47)39(44-40(48)51-2)38(30-12-5-3-6-13-30)31-14-7-4-8-15-31;1-27(2)24-42(50(46,47)33-20-21-34-36(23-33)49-26-40-34)32(25-43)19-18-28-12-10-11-17-31(28)22-35(44)38(41-39(45)48-3)37(29-13-6-4-7-14-29)30-15-8-5-9-16-30;1-28(2)24-25-42(49(46,47)35-22-19-33(40)20-23-35)34(27-43)21-18-29-12-10-11-17-32(29)26-36(44)38(41-39(45)48-3)37(30-13-6-4-7-14-30)31-15-8-5-9-16-31;1-49-38(46)42-37(36(29-11-4-2-5-12-29)30-13-6-3-7-14-30)35(45)22-31-15-9-8-10-28(31)16-19-33(26-44)43(25-27-23-40-41-24-27)50(47,48)34-20-17-32(39)18-21-34;1-48-38(45)41-37(36(29-11-4-2-5-12-29)30-13-6-3-7-14-30)35(44)22-31-15-9-8-10-28(31)16-19-33(25-43)42(24-27-23-40-49-26-27)50(46,47)34-20-17-32(39)18-21-34;1-47-38(44)40-37(36(29-11-4-2-5-12-29)30-13-6-3-7-14-30)35(43)24-31-15-9-8-10-28(31)18-21-33(26-42)41(25-27-16-17-27)48(45,46)34-22-19-32(39)20-23-34;1-26(2)40(47(44,45)33-22-19-31(38)20-23-33)32(25-41)21-18-27-12-10-11-17-30(27)24-34(42)36(39-37(43)46-3)35(28-13-6-4-7-14-28)29-15-8-5-9-16-29/h3-16,18-19,21-22,24,27,35,38-39,46H,17,20,23,25-26,41H2,1-2H3,(H,44,48);4-17,20-21,23,26-27,32,37-38,43H,18-19,22,24-25H2,1-3H3,(H,41,45);4-17,19-20,22-23,28,34,37-38,43H,18,21,24-27,40H2,1-3H3,(H,41,45);2-15,17-18,20-21,23-24,33,36-37,44H,16,19,22,25-26,39H2,1H3,(H,40,41)(H,42,46);2-15,17-18,20-21,23,26,33,36-37,43H,16,19,22,24-25,39H2,1H3,(H,41,45);2-15,19-20,22-23,27,33,36-37,42H,16-18,21,24-26,39H2,1H3,(H,40,44);4-17,19-20,22-23,26,32,35-36,41H,18,21,24-25,38H2,1-3H3,(H,39,43)/t35-,39+;32-,38+;34-,38+;3*33-,37+;32-,36+/m0000000/s1.
What are the key properties of methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate?
methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate has a molecular weight of 4842.03 g/mol, XLogP of 38.41, 112 rotatable bonds, 21 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(cyclopropylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-[(4-methylpyrimidin-5-yl)methyl]amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1,2-oxazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-propan-2-ylamino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[(4-aminophenyl)sulfonyl-(1H-pyrazol-4-ylmethyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate;methyl N-[(2S)-4-[2-[(3S)-3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-4-hydroxybutyl]phenyl]-3-oxo-1,1-diphenylbutan-2-yl]carbamate is sourced from PubChem (CID 160516882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).