tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole

C68H92N10O9 — CID 157343578

IUPACtert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole
SMILESC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cncc(-c2c[nH]c3ccccc23)c1)C1CCCCC1)N(C)C(=O)OC(C)(C)C.C[C@@H](C(=O)N[C@H](C(=O)O)C1CCCCC1)N(C)C(=O)OC(C)(C)C.c1ccc2c(-c3cncc([C@@H]4CCCN4)c3)c[nH]c2c1
InChIInChI=1S/C34H45N5O4.C17H17N3.C17H30N2O5/c1-22(38(5)33(42)43-34(2,3)4)31(40)37-30(23-12-7-6-8-13-23)32(41)39-17-11-16-29(39)25-18-24(19-35-20-25)27-21-36-28-15-10-9-14-26(27)28;1-2-5-17-14(4-1)15(11-20-17)12-8-13(10-18-9-12)16-6-3-7-19-16;1-11(19(5)16(23)24-17(2,3)4)14(20)18-13(15(21)22)12-9-7-6-8-10-12/h9-10,14-15,18-23,29-30,36H,6-8,11-13,16-17H2,1-5H3,(H,37,40);1-2,4-5,8-11,16,19-20H,3,6-7H2;11-13H,6-10H2,1-5H3,(H,18,20)(H,21,22)/t22-,29-,30-;16-;11-,13-/m000/s1
InChIKeyBGRNGYHDERLACC-JVBDFTDGSA-N
MW1193.54 g/mol
LogP12.26
Rot. Bonds14

About tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole

tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole (PubChem CID 157343578) has the molecular formula C68H92N10O9 and a molecular weight of 1193.54 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole
PubChem CID157343578
Molecular FormulaC68H92N10O9
Molecular Weight1193.54 g/mol
Exact Mass1192.70
IUPAC Nametert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole
SMILESC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cncc(-c2c[nH]c3ccccc23)c1)C1CCCCC1)N(C)C(=O)OC(C)(C)C.C[C@@H](C(=O)N[C@H](C(=O)O)C1CCCCC1)N(C)C(=O)OC(C)(C)C.c1ccc2c(-c3cncc([C@@H]4CCCN4)c3)c[nH]c2c1
InChIInChI=1S/C34H45N5O4.C17H17N3.C17H30N2O5/c1-22(38(5)33(42)43-34(2,3)4)31(40)37-30(23-12-7-6-8-13-23)32(41)39-17-11-16-29(39)25-18-24(19-35-20-25)27-21-36-28-15-10-9-14-26(27)28;1-2-5-17-14(4-1)15(11-20-17)12-8-13(10-18-9-12)16-6-3-7-19-16;1-11(19(5)16(23)24-17(2,3)4)14(20)18-13(15(21)22)12-9-7-6-8-10-12/h9-10,14-15,18-23,29-30,36H,6-8,11-13,16-17H2,1-5H3,(H,37,40);1-2,4-5,8-11,16,19-20H,3,6-7H2;11-13H,6-10H2,1-5H3,(H,18,20)(H,21,22)/t22-,29-,30-;16-;11-,13-/m000/s1
InChIKeyBGRNGYHDERLACC-JVBDFTDGSA-N
XLogP12.26
TPSA244.28 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001193.54
LogP ≤ 512.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole 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

Gramicidin A
CID 16132269
Gramicidina
CID 16130140
Gramicidin D
CID 45267103
Teprotide
CID 443376
Murepavadin
CID 91824766
Spantide
CID 44458789
Gramicidin
CID 16170150
Peptidyl-Dipeptidase A
CID 37056
N-Acetyltryptophyl-N~1~-{3-[1-(N-acetyltryptophylvalyl)pyrrolidin-2-YL]-1-benzyl-2,3-dihydroxypropyl}valinamide
CID 6102706
L-054522
CID 15965425
Ruxotemitide
CID 46200994
Spantide I
CID 25079075

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole?
The IUPAC name of tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole (CID 157343578) is tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole.
What is the SMILES notation for tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole?
The canonical SMILES for tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole is C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cncc(-c2c[nH]c3ccccc23)c1)C1CCCCC1)N(C)C(=O)OC(C)(C)C.C[C@@H](C(=O)N[C@H](C(=O)O)C1CCCCC1)N(C)C(=O)OC(C)(C)C.c1ccc2c(-c3cncc([C@@H]4CCCN4)c3)c[nH]c2c1.
What is the InChIKey of tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole?
The InChIKey is BGRNGYHDERLACC-JVBDFTDGSA-N. The full InChI is InChI=1S/C34H45N5O4.C17H17N3.C17H30N2O5/c1-22(38(5)33(42)43-34(2,3)4)31(40)37-30(23-12-7-6-8-13-23)32(41)39-17-11-16-29(39)25-18-24(19-35-20-25)27-21-36-28-15-10-9-14-26(27)28;1-2-5-17-14(4-1)15(11-20-17)12-8-13(10-18-9-12)16-6-3-7-19-16;1-11(19(5)16(23)24-17(2,3)4)14(20)18-13(15(21)22)12-9-7-6-8-10-12/h9-10,14-15,18-23,29-30,36H,6-8,11-13,16-17H2,1-5H3,(H,37,40);1-2,4-5,8-11,16,19-20H,3,6-7H2;11-13H,6-10H2,1-5H3,(H,18,20)(H,21,22)/t22-,29-,30-;16-;11-,13-/m000/s1.
What are the key properties of tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole?
tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole has a molecular weight of 1193.54 g/mol, XLogP of 12.26, 14 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[5-(1H-indol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]-1H-indole is sourced from PubChem (CID 157343578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).