cyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide

C80H110N16O15S2 — CID 159413985

IUPACcyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide
SMILESC.C.C.C.NS(=O)(=O)Cc1ccccc1.O=C(N[C@H]1CCCCC/C=C\C2C[C@@]2(C(=O)NS(=O)(=O)Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](n3nnc(-c4ccccc4)n3)CN2C1=O)OC1CCCC1.O=C(N[C@H]1CCCCC/C=C\C2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](n3nnc(-c4ccccc4)n3)CN2C1=O)OC1CCCC1
InChIInChI=1S/C38H46N8O7S.C31H39N7O6.C7H9NO2S.4CH4/c47-34-32-22-29(46-42-33(41-44-46)27-16-8-5-9-17-27)24-45(32)35(48)31(39-37(50)53-30-19-12-13-20-30)21-11-3-1-2-10-18-28-23-38(28,40-34)36(49)43-54(51,52)25-26-14-6-4-7-15-26;39-27-25-17-22(38-35-26(34-36-38)20-11-5-4-6-12-20)19-37(25)28(40)24(32-30(43)44-23-14-9-10-15-23)16-8-3-1-2-7-13-21-18-31(21,33-27)29(41)42;8-11(9,10)6-7-4-2-1-3-5-7;;;;/h4-10,14-18,28-32H,1-3,11-13,19-25H2,(H,39,50)(H,40,47)(H,43,49);4-7,11-13,21-25H,1-3,8-10,14-19H2,(H,32,43)(H,33,39)(H,41,42);1-5H,6H2,(H2,8,9,10);4*1H4/b18-10-;13-7-;;;;;/t28?,29-,31+,32+,38-;21?,22-,24+,25+,31-;;;;;/m11...../s1
InChIKeyLOXUZZGYRJFNTB-ASNUTRCPSA-N
MW1599.99 g/mol
LogP9.58
Rot. Bonds15

About cyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide

cyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide (PubChem CID 159413985) has the molecular formula C80H110N16O15S2 and a molecular weight of 1599.99 g/mol. Its IUPAC name is cyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide.

Molecular Properties

Compound Namecyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide
PubChem CID159413985
Molecular FormulaC80H110N16O15S2
Molecular Weight1599.99 g/mol
Exact Mass1598.78
IUPAC Namecyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide
SMILESC.C.C.C.NS(=O)(=O)Cc1ccccc1.O=C(N[C@H]1CCCCC/C=C\C2C[C@@]2(C(=O)NS(=O)(=O)Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](n3nnc(-c4ccccc4)n3)CN2C1=O)OC1CCCC1.O=C(N[C@H]1CCCCC/C=C\C2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](n3nnc(-c4ccccc4)n3)CN2C1=O)OC1CCCC1
InChIInChI=1S/C38H46N8O7S.C31H39N7O6.C7H9NO2S.4CH4/c47-34-32-22-29(46-42-33(41-44-46)27-16-8-5-9-17-27)24-45(32)35(48)31(39-37(50)53-30-19-12-13-20-30)21-11-3-1-2-10-18-28-23-38(28,40-34)36(49)43-54(51,52)25-26-14-6-4-7-15-26;39-27-25-17-22(38-35-26(34-36-38)20-11-5-4-6-12-20)19-37(25)28(40)24(32-30(43)44-23-14-9-10-15-23)16-8-3-1-2-7-13-21-18-31(21,33-27)29(41)42;8-11(9,10)6-7-4-2-1-3-5-7;;;;/h4-10,14-18,28-32H,1-3,11-13,19-25H2,(H,39,50)(H,40,47)(H,43,49);4-7,11-13,21-25H,1-3,8-10,14-19H2,(H,32,43)(H,33,39)(H,41,42);1-5H,6H2,(H2,8,9,10);4*1H4/b18-10-;13-7-;;;;;/t28?,29-,31+,32+,38-;21?,22-,24+,25+,31-;;;;;/m11...../s1
InChIKeyLOXUZZGYRJFNTB-ASNUTRCPSA-N
XLogP9.58
TPSA423.38 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001599.99
LogP ≤ 59.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze cyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide 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

(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;2-phenylethanol;2-phenylethyl (1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 158090382
(1S,4R,6S,14S,18R)-18-(4-bromo-5-phenyltriazol-2-yl)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 90821609
(1S,4R,6S,14S,18R)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[5-(4-phenoxyphenyl)tetrazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 90966353
(1S,4S,6S,7Z,14R,18S)-18-[5-(4-ethoxyphenyl)tetrazol-2-yl]-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 15975006
(1S,4S,6S,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[5-[3-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]tetrazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 91575297
(7Z,18R)-18-[5-(3-methoxyphenyl)tetrazol-2-yl]-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 10326587
(1S,4S,6S,14R,18S)-18-[5-(3,4-dichlorophenyl)tetrazol-2-yl]-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 90693635
(1S,4R,6S,14S,18R)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[5-(4-thiophen-3-ylphenyl)tetrazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 91154801
cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
CID 24949626
(7Z,18R)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[5-(2-phenylquinolin-4-yl)tetrazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 10462579
(1S,4S,6S,7Z,14R,18S)-18-(4,5-diphenyltriazol-2-yl)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 70959939
cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-18-[4-phenyl-5-[6-(trifluoromethoxy)-3-pyridinyl]triazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
CID 24949627

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide?
The IUPAC name of cyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide (CID 159413985) is cyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide.
What is the SMILES notation for cyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide?
The canonical SMILES for cyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide is C.C.C.C.NS(=O)(=O)Cc1ccccc1.O=C(N[C@H]1CCCCC/C=C\C2C[C@@]2(C(=O)NS(=O)(=O)Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](n3nnc(-c4ccccc4)n3)CN2C1=O)OC1CCCC1.O=C(N[C@H]1CCCCC/C=C\C2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](n3nnc(-c4ccccc4)n3)CN2C1=O)OC1CCCC1.
What is the InChIKey of cyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide?
The InChIKey is LOXUZZGYRJFNTB-ASNUTRCPSA-N. The full InChI is InChI=1S/C38H46N8O7S.C31H39N7O6.C7H9NO2S.4CH4/c47-34-32-22-29(46-42-33(41-44-46)27-16-8-5-9-17-27)24-45(32)35(48)31(39-37(50)53-30-19-12-13-20-30)21-11-3-1-2-10-18-28-23-38(28,40-34)36(49)43-54(51,52)25-26-14-6-4-7-15-26;39-27-25-17-22(38-35-26(34-36-38)20-11-5-4-6-12-20)19-37(25)28(40)24(32-30(43)44-23-14-9-10-15-23)16-8-3-1-2-7-13-21-18-31(21,33-27)29(41)42;8-11(9,10)6-7-4-2-1-3-5-7;;;;/h4-10,14-18,28-32H,1-3,11-13,19-25H2,(H,39,50)(H,40,47)(H,43,49);4-7,11-13,21-25H,1-3,8-10,14-19H2,(H,32,43)(H,33,39)(H,41,42);1-5H,6H2,(H2,8,9,10);4*1H4/b18-10-;13-7-;;;;;/t28?,29-,31+,32+,38-;21?,22-,24+,25+,31-;;;;;/m11...../s1.
What are the key properties of cyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide?
cyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide has a molecular weight of 1599.99 g/mol, XLogP of 9.58, 15 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[(1S,4R,7Z,14S,18R)-4-(benzylsulfonylcarbamoyl)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-18-(5-phenyltetrazol-2-yl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;methane;phenylmethanesulfonamide is sourced from PubChem (CID 159413985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).