N-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C187H265N31O36 — CID 157350634

IUPACN-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccn1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.CC[C@H](NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.Cc1cc(C(=O)N[C@@H](Cc2ccccn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1
InChIInChI=1S/C36H46N6O6.C33H48N6O6.C32H45N5O6.C32H39N5O5.C29H47N5O7.C25H40N4O6/c1-24(2)19-28(32(43)36(3)12-13-36)38-33(44)29(20-25-9-5-4-6-10-25)39-34(45)30(21-26-11-7-8-14-37-26)40-35(46)31-22-27(48-41-31)23-42-15-17-47-18-16-42;1-21(2)16-25(29(40)33(5)8-9-33)35-31(42)27(18-23-6-10-34-11-7-23)37-30(41)26(17-22(3)4)36-32(43)28-19-24(45-38-28)20-39-12-14-44-15-13-39;1-5-24(33-31(41)27-19-23(43-36-27)20-37-13-15-42-16-14-37)29(39)35-26(18-22-9-7-6-8-10-22)30(40)34-25(17-21(2)3)28(38)32(4)11-12-32;1-20(2)16-24(28(38)32(4)13-14-32)34-29(39)25(18-22-10-6-5-7-11-22)35-30(40)26(19-23-12-8-9-15-33-23)36-31(41)27-17-21(3)42-37-27;1-18(2)13-21(25(35)29(5)7-8-29)30-28(38)24(17-39-6)32-26(36)22(14-19(3)4)31-27(37)23-15-20(41-33-23)16-34-9-11-40-12-10-34;1-14(2)10-17(21(30)25(6)8-9-25)26-22(31)18(11-15(3)4)27-24(33)20(13-34-7)28-23(32)19-12-16(5)35-29-19/h4-11,14,22,24,28-30H,12-13,15-21,23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46);6-7,10-11,19,21-22,25-27H,8-9,12-18,20H2,1-5H3,(H,35,42)(H,36,43)(H,37,41);6-10,19,21,24-26H,5,11-18,20H2,1-4H3,(H,33,41)(H,34,40)(H,35,39);5-12,15,17,20,24-26H,13-14,16,18-19H2,1-4H3,(H,34,39)(H,35,40)(H,36,41);15,18-19,21-22,24H,7-14,16-17H2,1-6H3,(H,30,38)(H,31,37)(H,32,36);12,14-15,17-18,20H,8-11,13H2,1-7H3,(H,26,31)(H,27,33)(H,28,32)/t28-,29-,30-;25-,26-,27-;2*24-,25-,26-;21-,22-,24-;17-,18-,20-/m000000/s1
InChIKeyBHMHGUKBZABDOO-BMAPIKOBSA-N
MW3523.36 g/mol
LogP15.38
Rot. Bonds91

About N-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

N-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 157350634) has the molecular formula C187H265N31O36 and a molecular weight of 3523.36 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID157350634
Molecular FormulaC187H265N31O36
Molecular Weight3523.36 g/mol
Exact Mass3520.99
IUPAC NameN-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccn1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.CC[C@H](NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.Cc1cc(C(=O)N[C@@H](Cc2ccccn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1
InChIInChI=1S/C36H46N6O6.C33H48N6O6.C32H45N5O6.C32H39N5O5.C29H47N5O7.C25H40N4O6/c1-24(2)19-28(32(43)36(3)12-13-36)38-33(44)29(20-25-9-5-4-6-10-25)39-34(45)30(21-26-11-7-8-14-37-26)40-35(46)31-22-27(48-41-31)23-42-15-17-47-18-16-42;1-21(2)16-25(29(40)33(5)8-9-33)35-31(42)27(18-23-6-10-34-11-7-23)37-30(41)26(17-22(3)4)36-32(43)28-19-24(45-38-28)20-39-12-14-44-15-13-39;1-5-24(33-31(41)27-19-23(43-36-27)20-37-13-15-42-16-14-37)29(39)35-26(18-22-9-7-6-8-10-22)30(40)34-25(17-21(2)3)28(38)32(4)11-12-32;1-20(2)16-24(28(38)32(4)13-14-32)34-29(39)25(18-22-10-6-5-7-11-22)35-30(40)26(19-23-12-8-9-15-33-23)36-31(41)27-17-21(3)42-37-27;1-18(2)13-21(25(35)29(5)7-8-29)30-28(38)24(17-39-6)32-26(36)22(14-19(3)4)31-27(37)23-15-20(41-33-23)16-34-9-11-40-12-10-34;1-14(2)10-17(21(30)25(6)8-9-25)26-22(31)18(11-15(3)4)27-24(33)20(13-34-7)28-23(32)19-12-16(5)35-29-19/h4-11,14,22,24,28-30H,12-13,15-21,23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46);6-7,10-11,19,21-22,25-27H,8-9,12-18,20H2,1-5H3,(H,35,42)(H,36,43)(H,37,41);6-10,19,21,24-26H,5,11-18,20H2,1-4H3,(H,33,41)(H,34,40)(H,35,39);5-12,15,17,20,24-26H,13-14,16,18-19H2,1-4H3,(H,34,39)(H,35,40)(H,36,41);15,18-19,21-22,24H,7-14,16-17H2,1-6H3,(H,30,38)(H,31,37)(H,32,36);12,14-15,17-18,20H,8-11,13H2,1-7H3,(H,26,31)(H,27,33)(H,28,32)/t28-,29-,30-;25-,26-,27-;2*24-,25-,26-;21-,22-,24-;17-,18-,20-/m000000/s1
InChIKeyBHMHGUKBZABDOO-BMAPIKOBSA-N
XLogP15.38
TPSA889.41 Ų
H-Bond Donors18
H-Bond Acceptors49
Rotatable Bonds91
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003523.36
LogP ≤ 515.38
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1049

Analyze N-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide with MolForge

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What is the IUPAC name of N-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 157350634) is N-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccn1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.CC[C@H](NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.Cc1cc(C(=O)N[C@@H](Cc2ccccn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1.
What is the InChIKey of N-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BHMHGUKBZABDOO-BMAPIKOBSA-N. The full InChI is InChI=1S/C36H46N6O6.C33H48N6O6.C32H45N5O6.C32H39N5O5.C29H47N5O7.C25H40N4O6/c1-24(2)19-28(32(43)36(3)12-13-36)38-33(44)29(20-25-9-5-4-6-10-25)39-34(45)30(21-26-11-7-8-14-37-26)40-35(46)31-22-27(48-41-31)23-42-15-17-47-18-16-42;1-21(2)16-25(29(40)33(5)8-9-33)35-31(42)27(18-23-6-10-34-11-7-23)37-30(41)26(17-22(3)4)36-32(43)28-19-24(45-38-28)20-39-12-14-44-15-13-39;1-5-24(33-31(41)27-19-23(43-36-27)20-37-13-15-42-16-14-37)29(39)35-26(18-22-9-7-6-8-10-22)30(40)34-25(17-21(2)3)28(38)32(4)11-12-32;1-20(2)16-24(28(38)32(4)13-14-32)34-29(39)25(18-22-10-6-5-7-11-22)35-30(40)26(19-23-12-8-9-15-33-23)36-31(41)27-17-21(3)42-37-27;1-18(2)13-21(25(35)29(5)7-8-29)30-28(38)24(17-39-6)32-26(36)22(14-19(3)4)31-27(37)23-15-20(41-33-23)16-34-9-11-40-12-10-34;1-14(2)10-17(21(30)25(6)8-9-25)26-22(31)18(11-15(3)4)27-24(33)20(13-34-7)28-23(32)19-12-16(5)35-29-19/h4-11,14,22,24,28-30H,12-13,15-21,23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46);6-7,10-11,19,21-22,25-27H,8-9,12-18,20H2,1-5H3,(H,35,42)(H,36,43)(H,37,41);6-10,19,21,24-26H,5,11-18,20H2,1-4H3,(H,33,41)(H,34,40)(H,35,39);5-12,15,17,20,24-26H,13-14,16,18-19H2,1-4H3,(H,34,39)(H,35,40)(H,36,41);15,18-19,21-22,24H,7-14,16-17H2,1-6H3,(H,30,38)(H,31,37)(H,32,36);12,14-15,17-18,20H,8-11,13H2,1-7H3,(H,26,31)(H,27,33)(H,28,32)/t28-,29-,30-;25-,26-,27-;2*24-,25-,26-;21-,22-,24-;17-,18-,20-/m000000/s1.
What are the key properties of N-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
N-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 3523.36 g/mol, XLogP of 15.38, 91 rotatable bonds, 18 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 157350634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).