(2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

C239H326N24O10 — CID 158176924

IUPAC(2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](NCc1ccccn1)C(=O)NCc1ccc(CCCCCCC2CCCCC2)cc1.NC(N)=NCCC[C@H](CC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCc1ccc(CCCCCCC2CCCCC2)cc1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@@H]1CCCN1Cc1ccccn1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@@H]1Cc2ccccc2CN1Cc1ccccn1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@H](Cc1c[nH]c2ccccc12)NCc1ccccn1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@H](Cc1ccc(O)cc1)NCc1ccccn1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@H](Cc1ccc2ccccc2c1)NCc1ccccn1
InChIInChI=1S/C38H47N3O.C36H46N4O.C35H53N5O3.C35H45N3O.C34H45N3O2.C31H47N3O.C30H43N3O/c42-38(41-28-32-21-19-31(20-22-32)15-5-2-1-4-12-30-13-6-3-7-14-30)37(40-29-36-18-10-11-25-39-36)27-33-23-24-34-16-8-9-17-35(34)26-33;41-36(35(39-27-32-16-10-11-23-37-32)24-31-26-38-34-18-9-8-17-33(31)34)40-25-30-21-19-29(20-22-30)15-5-2-1-4-12-28-13-6-3-7-14-28;36-32(23-28-18-20-31(41)21-19-28)33(42)24-30(13-8-22-39-35(37)38)34(43)40-25-29-16-14-27(15-17-29)12-5-2-1-4-9-26-10-6-3-7-11-26;39-35(34-24-31-16-8-9-17-32(31)26-38(34)27-33-18-10-11-23-36-33)37-25-30-21-19-29(20-22-30)15-5-2-1-4-12-28-13-6-3-7-14-28;38-32-21-19-29(20-22-32)24-33(36-26-31-14-8-9-23-35-31)34(39)37-25-30-17-15-28(16-18-30)13-5-2-1-4-10-27-11-6-3-7-12-27;1-25(2)22-30(33-24-29-16-10-11-21-32-29)31(35)34-23-28-19-17-27(18-20-28)15-7-4-3-6-12-26-13-8-5-9-14-26;34-30(29-16-10-22-33(29)24-28-15-8-9-21-31-28)32-23-27-19-17-26(18-20-27)14-5-2-1-4-11-25-12-6-3-7-13-25/h8-11,16-26,30,37,40H,1-7,12-15,27-29H2,(H,41,42);8-11,16-23,26,28,35,38-39H,1-7,12-15,24-25,27H2,(H,40,41);14-21,26,30,32,41H,1-13,22-25,36H2,(H,40,43)(H4,37,38,39);8-11,16-23,28,34H,1-7,12-15,24-27H2,(H,37,39);8-9,14-23,27,33,36,38H,1-7,10-13,24-26H2,(H,37,39);10-11,16-21,25-26,30,33H,3-9,12-15,22-24H2,1-2H3,(H,34,35);8-9,15,17-21,25,29H,1-7,10-14,16,22-24H2,(H,32,34)/t37-;35-;30-,32+;34-;33-;30-;29-/m0010000/s1
InChIKeyFYCOPHCTSRHKHM-JWLLRRAQSA-N
MW3695.39 g/mol
LogP48.95
Rot. Bonds103

About (2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

(2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 158176924) has the molecular formula C239H326N24O10 and a molecular weight of 3695.39 g/mol. Its IUPAC name is (2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID158176924
Molecular FormulaC239H326N24O10
Molecular Weight3695.39 g/mol
Exact Mass3692.57
IUPAC Name(2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](NCc1ccccn1)C(=O)NCc1ccc(CCCCCCC2CCCCC2)cc1.NC(N)=NCCC[C@H](CC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCc1ccc(CCCCCCC2CCCCC2)cc1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@@H]1CCCN1Cc1ccccn1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@@H]1Cc2ccccc2CN1Cc1ccccn1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@H](Cc1c[nH]c2ccccc12)NCc1ccccn1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@H](Cc1ccc(O)cc1)NCc1ccccn1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@H](Cc1ccc2ccccc2c1)NCc1ccccn1
InChIInChI=1S/C38H47N3O.C36H46N4O.C35H53N5O3.C35H45N3O.C34H45N3O2.C31H47N3O.C30H43N3O/c42-38(41-28-32-21-19-31(20-22-32)15-5-2-1-4-12-30-13-6-3-7-14-30)37(40-29-36-18-10-11-25-39-36)27-33-23-24-34-16-8-9-17-35(34)26-33;41-36(35(39-27-32-16-10-11-23-37-32)24-31-26-38-34-18-9-8-17-33(31)34)40-25-30-21-19-29(20-22-30)15-5-2-1-4-12-28-13-6-3-7-14-28;36-32(23-28-18-20-31(41)21-19-28)33(42)24-30(13-8-22-39-35(37)38)34(43)40-25-29-16-14-27(15-17-29)12-5-2-1-4-9-26-10-6-3-7-11-26;39-35(34-24-31-16-8-9-17-32(31)26-38(34)27-33-18-10-11-23-36-33)37-25-30-21-19-29(20-22-30)15-5-2-1-4-12-28-13-6-3-7-14-28;38-32-21-19-29(20-22-32)24-33(36-26-31-14-8-9-23-35-31)34(39)37-25-30-17-15-28(16-18-30)13-5-2-1-4-10-27-11-6-3-7-12-27;1-25(2)22-30(33-24-29-16-10-11-21-32-29)31(35)34-23-28-19-17-27(18-20-28)15-7-4-3-6-12-26-13-8-5-9-14-26;34-30(29-16-10-22-33(29)24-28-15-8-9-21-31-28)32-23-27-19-17-26(18-20-27)14-5-2-1-4-11-25-12-6-3-7-13-25/h8-11,16-26,30,37,40H,1-7,12-15,27-29H2,(H,41,42);8-11,16-23,26,28,35,38-39H,1-7,12-15,24-25,27H2,(H,40,41);14-21,26,30,32,41H,1-13,22-25,36H2,(H,40,43)(H4,37,38,39);8-11,16-23,28,34H,1-7,12-15,24-27H2,(H,37,39);8-9,14-23,27,33,36,38H,1-7,10-13,24-26H2,(H,37,39);10-11,16-21,25-26,30,33H,3-9,12-15,22-24H2,1-2H3,(H,34,35);8-9,15,17-21,25,29H,1-7,10-14,16,22-24H2,(H,32,34)/t37-;35-;30-,32+;34-;33-;30-;29-/m0010000/s1
InChIKeyFYCOPHCTSRHKHM-JWLLRRAQSA-N
XLogP48.95
TPSA499.38 Ų
H-Bond Donors17
H-Bond Acceptors24
Rotatable Bonds103
Heavy Atoms273
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003695.39
LogP ≤ 548.95
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (CID 158176924) is (2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is CC(C)C[C@H](NCc1ccccn1)C(=O)NCc1ccc(CCCCCCC2CCCCC2)cc1.NC(N)=NCCC[C@H](CC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCc1ccc(CCCCCCC2CCCCC2)cc1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@@H]1CCCN1Cc1ccccn1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@@H]1Cc2ccccc2CN1Cc1ccccn1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@H](Cc1c[nH]c2ccccc12)NCc1ccccn1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@H](Cc1ccc(O)cc1)NCc1ccccn1.O=C(NCc1ccc(CCCCCCC2CCCCC2)cc1)[C@H](Cc1ccc2ccccc2c1)NCc1ccccn1.
What is the InChIKey of (2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is FYCOPHCTSRHKHM-JWLLRRAQSA-N. The full InChI is InChI=1S/C38H47N3O.C36H46N4O.C35H53N5O3.C35H45N3O.C34H45N3O2.C31H47N3O.C30H43N3O/c42-38(41-28-32-21-19-31(20-22-32)15-5-2-1-4-12-30-13-6-3-7-14-30)37(40-29-36-18-10-11-25-39-36)27-33-23-24-34-16-8-9-17-35(34)26-33;41-36(35(39-27-32-16-10-11-23-37-32)24-31-26-38-34-18-9-8-17-33(31)34)40-25-30-21-19-29(20-22-30)15-5-2-1-4-12-28-13-6-3-7-14-28;36-32(23-28-18-20-31(41)21-19-28)33(42)24-30(13-8-22-39-35(37)38)34(43)40-25-29-16-14-27(15-17-29)12-5-2-1-4-9-26-10-6-3-7-11-26;39-35(34-24-31-16-8-9-17-32(31)26-38(34)27-33-18-10-11-23-36-33)37-25-30-21-19-29(20-22-30)15-5-2-1-4-12-28-13-6-3-7-14-28;38-32-21-19-29(20-22-32)24-33(36-26-31-14-8-9-23-35-31)34(39)37-25-30-17-15-28(16-18-30)13-5-2-1-4-10-27-11-6-3-7-12-27;1-25(2)22-30(33-24-29-16-10-11-21-32-29)31(35)34-23-28-19-17-27(18-20-28)15-7-4-3-6-12-26-13-8-5-9-14-26;34-30(29-16-10-22-33(29)24-28-15-8-9-21-31-28)32-23-27-19-17-26(18-20-27)14-5-2-1-4-11-25-12-6-3-7-13-25/h8-11,16-26,30,37,40H,1-7,12-15,27-29H2,(H,41,42);8-11,16-23,26,28,35,38-39H,1-7,12-15,24-25,27H2,(H,40,41);14-21,26,30,32,41H,1-13,22-25,36H2,(H,40,43)(H4,37,38,39);8-11,16-23,28,34H,1-7,12-15,24-27H2,(H,37,39);8-9,14-23,27,33,36,38H,1-7,10-13,24-26H2,(H,37,39);10-11,16-21,25-26,30,33H,3-9,12-15,22-24H2,1-2H3,(H,34,35);8-9,15,17-21,25,29H,1-7,10-14,16,22-24H2,(H,32,34)/t37-;35-;30-,32+;34-;33-;30-;29-/m0010000/s1.
What are the key properties of (2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
(2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 3695.39 g/mol, XLogP of 48.95, 103 rotatable bonds, 17 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-amino-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-[3-(diaminomethylideneamino)propyl]-6-(4-hydroxyphenyl)-4-oxohexanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(4-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(pyridin-2-ylmethylamino)propanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-2-(pyridin-2-ylmethylamino)pentanamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-3-naphthalen-2-yl-2-(pyridin-2-ylmethylamino)propanamide;(3S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;(2S)-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 158176924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).