5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C168H226N20O28 — CID 158452952

IUPAC5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(CN2CCOCC2)on1)C(C)C)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC1CC1)NC(=O)c1cc(CN2CCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC1CC1)NC(=O)c1cc(CN2CCOCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.COC[C@H](NC(=O)c1cc(CN2CCC2)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.Cc1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1
InChIInChI=1S/C35H48N4O6.C34H48N4O6.C34H46N4O5.C33H40N4O5.C32H44N4O6/c1-23(2)17-29(32(41)35(3)11-12-35)37-33(42)26(18-24-7-5-4-6-8-24)20-31(40)28(19-25-9-10-25)36-34(43)30-21-27(45-38-30)22-39-13-15-44-16-14-39;1-22(2)17-27(31(40)34(5)11-12-34)35-32(41)25(18-24-9-7-6-8-10-24)19-29(39)30(23(3)4)36-33(42)28-20-26(44-37-28)21-38-13-15-43-16-14-38;1-22(2)16-28(31(40)34(3)12-13-34)36-32(41)25(17-23-8-5-4-6-9-23)19-30(39)27(18-24-10-11-24)35-33(42)29-20-26(43-37-29)21-38-14-7-15-38;1-21(2)16-27(30(39)33(4)12-13-33)36-31(40)25(18-23-8-6-5-7-9-23)20-29(38)26(19-24-10-14-34-15-11-24)35-32(41)28-17-22(3)42-37-28;1-21(2)15-25(29(38)32(3)11-12-32)33-30(39)23(16-22-9-6-5-7-10-22)17-28(37)27(20-41-4)34-31(40)26-18-24(42-35-26)19-36-13-8-14-36/h4-8,21,23,25-26,28-29H,9-20,22H2,1-3H3,(H,36,43)(H,37,42);6-10,20,22-23,25,27,30H,11-19,21H2,1-5H3,(H,35,41)(H,36,42);4-6,8-9,20,22,24-25,27-28H,7,10-19,21H2,1-3H3,(H,35,42)(H,36,41);5-11,14-15,17,21,25-27H,12-13,16,18-20H2,1-4H3,(H,35,41)(H,36,40);5-7,9-10,18,21,23,25,27H,8,11-17,19-20H2,1-4H3,(H,33,39)(H,34,40)/t26-,28+,29+;25-,27+,30+;25-,27+,28+;25-,26+,27+;23-,25+,27+/m11111/s1
InChIKeyHEFLCTNQFLVHPZ-DYQLPZESSA-N
MW2973.77 g/mol
LogP20.38
Rot. Bonds82

About 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 158452952) has the molecular formula C168H226N20O28 and a molecular weight of 2973.77 g/mol. Its IUPAC name is 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID158452952
Molecular FormulaC168H226N20O28
Molecular Weight2973.77 g/mol
Exact Mass2971.69
IUPAC Name5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(CN2CCOCC2)on1)C(C)C)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC1CC1)NC(=O)c1cc(CN2CCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC1CC1)NC(=O)c1cc(CN2CCOCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.COC[C@H](NC(=O)c1cc(CN2CCC2)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.Cc1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1
InChIInChI=1S/C35H48N4O6.C34H48N4O6.C34H46N4O5.C33H40N4O5.C32H44N4O6/c1-23(2)17-29(32(41)35(3)11-12-35)37-33(42)26(18-24-7-5-4-6-8-24)20-31(40)28(19-25-9-10-25)36-34(43)30-21-27(45-38-30)22-39-13-15-44-16-14-39;1-22(2)17-27(31(40)34(5)11-12-34)35-32(41)25(18-24-9-7-6-8-10-24)19-29(39)30(23(3)4)36-33(42)28-20-26(44-37-28)21-38-13-15-43-16-14-38;1-22(2)16-28(31(40)34(3)12-13-34)36-32(41)25(17-23-8-5-4-6-9-23)19-30(39)27(18-24-10-11-24)35-33(42)29-20-26(43-37-29)21-38-14-7-15-38;1-21(2)16-27(30(39)33(4)12-13-33)36-31(40)25(18-23-8-6-5-7-9-23)20-29(38)26(19-24-10-14-34-15-11-24)35-32(41)28-17-22(3)42-37-28;1-21(2)15-25(29(38)32(3)11-12-32)33-30(39)23(16-22-9-6-5-7-10-22)17-28(37)27(20-41-4)34-31(40)26-18-24(42-35-26)19-36-13-8-14-36/h4-8,21,23,25-26,28-29H,9-20,22H2,1-3H3,(H,36,43)(H,37,42);6-10,20,22-23,25,27,30H,11-19,21H2,1-5H3,(H,35,41)(H,36,42);4-6,8-9,20,22,24-25,27-28H,7,10-19,21H2,1-3H3,(H,35,42)(H,36,41);5-11,14-15,17,21,25-27H,12-13,16,18-20H2,1-4H3,(H,35,41)(H,36,40);5-7,9-10,18,21,23,25,27H,8,11-17,19-20H2,1-4H3,(H,33,39)(H,34,40)/t26-,28+,29+;25-,27+,30+;25-,27+,28+;25-,26+,27+;23-,25+,27+/m11111/s1
InChIKeyHEFLCTNQFLVHPZ-DYQLPZESSA-N
XLogP20.38
TPSA645.39 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds82
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002973.77
LogP ≤ 520.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 158452952) is 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(CN2CCOCC2)on1)C(C)C)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC1CC1)NC(=O)c1cc(CN2CCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC1CC1)NC(=O)c1cc(CN2CCOCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.COC[C@H](NC(=O)c1cc(CN2CCC2)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.Cc1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1.
What is the InChIKey of 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HEFLCTNQFLVHPZ-DYQLPZESSA-N. The full InChI is InChI=1S/C35H48N4O6.C34H48N4O6.C34H46N4O5.C33H40N4O5.C32H44N4O6/c1-23(2)17-29(32(41)35(3)11-12-35)37-33(42)26(18-24-7-5-4-6-8-24)20-31(40)28(19-25-9-10-25)36-34(43)30-21-27(45-38-30)22-39-13-15-44-16-14-39;1-22(2)17-27(31(40)34(5)11-12-34)35-32(41)25(18-24-9-7-6-8-10-24)19-29(39)30(23(3)4)36-33(42)28-20-26(44-37-28)21-38-13-15-43-16-14-38;1-22(2)16-28(31(40)34(3)12-13-34)36-32(41)25(17-23-8-5-4-6-9-23)19-30(39)27(18-24-10-11-24)35-33(42)29-20-26(43-37-29)21-38-14-7-15-38;1-21(2)16-27(30(39)33(4)12-13-33)36-31(40)25(18-23-8-6-5-7-9-23)20-29(38)26(19-24-10-14-34-15-11-24)35-32(41)28-17-22(3)42-37-28;1-21(2)15-25(29(38)32(3)11-12-32)33-30(39)23(16-22-9-6-5-7-10-22)17-28(37)27(20-41-4)34-31(40)26-18-24(42-35-26)19-36-13-8-14-36/h4-8,21,23,25-26,28-29H,9-20,22H2,1-3H3,(H,36,43)(H,37,42);6-10,20,22-23,25,27,30H,11-19,21H2,1-5H3,(H,35,41)(H,36,42);4-6,8-9,20,22,24-25,27-28H,7,10-19,21H2,1-3H3,(H,35,42)(H,36,41);5-11,14-15,17,21,25-27H,12-13,16,18-20H2,1-4H3,(H,35,41)(H,36,40);5-7,9-10,18,21,23,25,27H,8,11-17,19-20H2,1-4H3,(H,33,39)(H,34,40)/t26-,28+,29+;25-,27+,30+;25-,27+,28+;25-,26+,27+;23-,25+,27+/m11111/s1.
What are the key properties of 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 2973.77 g/mol, XLogP of 20.38, 82 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-2-methyl-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158452952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).