[(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate

C113H171F3N18O21 — CID 159686589

IUPAC[(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate
SMILESC=CCNC(=O)C(=O)C(CCC(F)(F)F)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](COC(=O)NCC)C(C)(C)C)C1Cc3ccccc3C1)C2(C)C.C=CCNC(=O)C(=O)C(CCC)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](COC(=O)NC(C)C)C(C)(C)C)C1CCCCC1)C2(C)C.C=CCNC(=O)C(=O)C(CCCC)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](COC(=O)NCC)C(C)(C)C)C1Cc3ccccc3C1)C2(C)C
InChIInChI=1S/C39H58N6O7.C38H53F3N6O7.C36H60N6O7/c1-9-12-17-27(32(46)34(48)41-18-10-2)42-33(47)31-29-26(39(29,7)8)21-45(31)35(49)30(25-19-23-15-13-14-16-24(23)20-25)44-36(50)43-28(38(4,5)6)22-52-37(51)40-11-3;1-8-16-43-32(50)30(48)25(14-15-38(39,40)41)44-31(49)29-27-24(37(27,6)7)19-47(29)33(51)28(23-17-21-12-10-11-13-22(21)18-23)46-34(52)45-26(36(3,4)5)20-54-35(53)42-9-2;1-10-15-24(29(43)31(45)37-18-11-2)39-30(44)28-26-23(36(26,8)9)19-42(28)32(46)27(22-16-13-12-14-17-22)41-33(47)40-25(35(5,6)7)20-49-34(48)38-21(3)4/h10,13-16,25-31H,2,9,11-12,17-22H2,1,3-8H3,(H,40,51)(H,41,48)(H,42,47)(H2,43,44,50);8,10-13,23-29H,1,9,14-20H2,2-7H3,(H,42,53)(H,43,50)(H,44,49)(H2,45,46,52);11,21-28H,2,10,12-20H2,1,3-9H3,(H,37,45)(H,38,48)(H,39,44)(H2,40,41,47)/t26-,27?,28+,29-,30-,31-;24-,25?,26+,27-,28-,29-;23-,24?,25+,26-,27-,28-/m000/s1
InChIKeyMVWLRCICHANBPB-XMKKTAIFSA-N
MW2174.71 g/mol
LogP10.09
Rot. Bonds46

About [(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate

[(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate (PubChem CID 159686589) has the molecular formula C113H171F3N18O21 and a molecular weight of 2174.71 g/mol. Its IUPAC name is [(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate.

Molecular Properties

Compound Name[(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate
PubChem CID159686589
Molecular FormulaC113H171F3N18O21
Molecular Weight2174.71 g/mol
Exact Mass2173.28
IUPAC Name[(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate
SMILESC=CCNC(=O)C(=O)C(CCC(F)(F)F)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](COC(=O)NCC)C(C)(C)C)C1Cc3ccccc3C1)C2(C)C.C=CCNC(=O)C(=O)C(CCC)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](COC(=O)NC(C)C)C(C)(C)C)C1CCCCC1)C2(C)C.C=CCNC(=O)C(=O)C(CCCC)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](COC(=O)NCC)C(C)(C)C)C1Cc3ccccc3C1)C2(C)C
InChIInChI=1S/C39H58N6O7.C38H53F3N6O7.C36H60N6O7/c1-9-12-17-27(32(46)34(48)41-18-10-2)42-33(47)31-29-26(39(29,7)8)21-45(31)35(49)30(25-19-23-15-13-14-16-24(23)20-25)44-36(50)43-28(38(4,5)6)22-52-37(51)40-11-3;1-8-16-43-32(50)30(48)25(14-15-38(39,40)41)44-31(49)29-27-24(37(27,6)7)19-47(29)33(51)28(23-17-21-12-10-11-13-22(21)18-23)46-34(52)45-26(36(3,4)5)20-54-35(53)42-9-2;1-10-15-24(29(43)31(45)37-18-11-2)39-30(44)28-26-23(36(26,8)9)19-42(28)32(46)27(22-16-13-12-14-17-22)41-33(47)40-25(35(5,6)7)20-49-34(48)38-21(3)4/h10,13-16,25-31H,2,9,11-12,17-22H2,1,3-8H3,(H,40,51)(H,41,48)(H,42,47)(H2,43,44,50);8,10-13,23-29H,1,9,14-20H2,2-7H3,(H,42,53)(H,43,50)(H,44,49)(H2,45,46,52);11,21-28H,2,10,12-20H2,1,3-9H3,(H,37,45)(H,38,48)(H,39,44)(H2,40,41,47)/t26-,27?,28+,29-,30-,31-;24-,25?,26+,27-,28-,29-;23-,24?,25+,26-,27-,28-/m000/s1
InChIKeyMVWLRCICHANBPB-XMKKTAIFSA-N
XLogP10.09
TPSA525.12 Ų
H-Bond Donors15
H-Bond Acceptors21
Rotatable Bonds46
Heavy Atoms155
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002174.71
LogP ≤ 510.09
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate?
The IUPAC name of [(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate (CID 159686589) is [(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate.
What is the SMILES notation for [(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate?
The canonical SMILES for [(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate is C=CCNC(=O)C(=O)C(CCC(F)(F)F)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](COC(=O)NCC)C(C)(C)C)C1Cc3ccccc3C1)C2(C)C.C=CCNC(=O)C(=O)C(CCC)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](COC(=O)NC(C)C)C(C)(C)C)C1CCCCC1)C2(C)C.C=CCNC(=O)C(=O)C(CCCC)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](COC(=O)NCC)C(C)(C)C)C1Cc3ccccc3C1)C2(C)C.
What is the InChIKey of [(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate?
The InChIKey is MVWLRCICHANBPB-XMKKTAIFSA-N. The full InChI is InChI=1S/C39H58N6O7.C38H53F3N6O7.C36H60N6O7/c1-9-12-17-27(32(46)34(48)41-18-10-2)42-33(47)31-29-26(39(29,7)8)21-45(31)35(49)30(25-19-23-15-13-14-16-24(23)20-25)44-36(50)43-28(38(4,5)6)22-52-37(51)40-11-3;1-8-16-43-32(50)30(48)25(14-15-38(39,40)41)44-31(49)29-27-24(37(27,6)7)19-47(29)33(51)28(23-17-21-12-10-11-13-22(21)18-23)46-34(52)45-26(36(3,4)5)20-54-35(53)42-9-2;1-10-15-24(29(43)31(45)37-18-11-2)39-30(44)28-26-23(36(26,8)9)19-42(28)32(46)27(22-16-13-12-14-17-22)41-33(47)40-25(35(5,6)7)20-49-34(48)38-21(3)4/h10,13-16,25-31H,2,9,11-12,17-22H2,1,3-8H3,(H,40,51)(H,41,48)(H,42,47)(H2,43,44,50);8,10-13,23-29H,1,9,14-20H2,2-7H3,(H,42,53)(H,43,50)(H,44,49)(H2,45,46,52);11,21-28H,2,10,12-20H2,1,3-9H3,(H,37,45)(H,38,48)(H,39,44)(H2,40,41,47)/t26-,27?,28+,29-,30-,31-;24-,25?,26+,27-,28-,29-;23-,24?,25+,26-,27-,28-/m000/s1.
What are the key properties of [(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate?
[(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate has a molecular weight of 2174.71 g/mol, XLogP of 10.09, 46 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-propan-2-ylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-6,6-dimethyl-2-[[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate;[(2S)-2-[[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[(1R,2S,5S)-2-[[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate is sourced from PubChem (CID 159686589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).