(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide

C66H78Cl6N18O12 — CID 163907970

IUPAC(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
SMILESN#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1nc2c(Cl)ccc(Cl)c2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC1CC1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1nc2c(Cl)ccc(Cl)c2[nH]1.O=C(O)c1nc2c(Cl)ccc(Cl)c2[nH]1
InChIInChI=1S/C22H26Cl2N6O4.C22H24Cl2N6O3.C14H24N4O3.C8H4Cl2N2O2/c23-12-5-6-13(24)17-16(12)29-19(30-17)22(34)28-15(8-10-3-4-10)21(33)27-14(18(25)31)9-11-2-1-7-26-20(11)32;23-14-5-6-15(24)18-17(14)29-19(30-18)22(33)28-16(8-11-3-4-11)21(32)27-13(10-25)9-12-2-1-7-26-20(12)31;15-10(6-8-3-4-8)14(21)18-11(12(16)19)7-9-2-1-5-17-13(9)20;9-3-1-2-4(10)6-5(3)11-7(12-6)8(13)14/h5-6,10-11,14-15H,1-4,7-9H2,(H2,25,31)(H,26,32)(H,27,33)(H,28,34)(H,29,30);5-6,11-13,16H,1-4,7-9H2,(H,26,31)(H,27,32)(H,28,33)(H,29,30);8-11H,1-7,15H2,(H2,16,19)(H,17,20)(H,18,21);1-2H,(H,11,12)(H,13,14)/t11-,14-,15-;12-,13-,16-;9-,10-,11-;/m000./s1
InChIKeyQPQDVHCDMPVURK-WMSPUXGISA-N
MW1528.18 g/mol
LogP5.92
Rot. Bonds25

About (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide

(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide (PubChem CID 163907970) has the molecular formula C66H78Cl6N18O12 and a molecular weight of 1528.18 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
PubChem CID163907970
Molecular FormulaC66H78Cl6N18O12
Molecular Weight1528.18 g/mol
Exact Mass1524.42
IUPAC Name(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
SMILESN#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1nc2c(Cl)ccc(Cl)c2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC1CC1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1nc2c(Cl)ccc(Cl)c2[nH]1.O=C(O)c1nc2c(Cl)ccc(Cl)c2[nH]1
InChIInChI=1S/C22H26Cl2N6O4.C22H24Cl2N6O3.C14H24N4O3.C8H4Cl2N2O2/c23-12-5-6-13(24)17-16(12)29-19(30-17)22(34)28-15(8-10-3-4-10)21(33)27-14(18(25)31)9-11-2-1-7-26-20(11)32;23-14-5-6-15(24)18-17(14)29-19(30-18)22(33)28-16(8-11-3-4-11)21(32)27-13(10-25)9-12-2-1-7-26-20(12)31;15-10(6-8-3-4-8)14(21)18-11(12(16)19)7-9-2-1-5-17-13(9)20;9-3-1-2-4(10)6-5(3)11-7(12-6)8(13)14/h5-6,10-11,14-15H,1-4,7-9H2,(H2,25,31)(H,26,32)(H,27,33)(H,28,34)(H,29,30);5-6,11-13,16H,1-4,7-9H2,(H,26,31)(H,27,32)(H,28,33)(H,29,30);8-11H,1-7,15H2,(H2,16,19)(H,17,20)(H,18,21);1-2H,(H,11,12)(H,13,14)/t11-,14-,15-;12-,13-,16-;9-,10-,11-;/m000./s1
InChIKeyQPQDVHCDMPVURK-WMSPUXGISA-N
XLogP5.92
TPSA492.13 Ų
H-Bond Donors15
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms102
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001528.18
LogP ≤ 55.92
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1016

Analyze (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide 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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide (CID 163907970) is (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide is N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1nc2c(Cl)ccc(Cl)c2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC1CC1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1nc2c(Cl)ccc(Cl)c2[nH]1.O=C(O)c1nc2c(Cl)ccc(Cl)c2[nH]1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide?
The InChIKey is QPQDVHCDMPVURK-WMSPUXGISA-N. The full InChI is InChI=1S/C22H26Cl2N6O4.C22H24Cl2N6O3.C14H24N4O3.C8H4Cl2N2O2/c23-12-5-6-13(24)17-16(12)29-19(30-17)22(34)28-15(8-10-3-4-10)21(33)27-14(18(25)31)9-11-2-1-7-26-20(11)32;23-14-5-6-15(24)18-17(14)29-19(30-18)22(33)28-16(8-11-3-4-11)21(32)27-13(10-25)9-12-2-1-7-26-20(12)31;15-10(6-8-3-4-8)14(21)18-11(12(16)19)7-9-2-1-5-17-13(9)20;9-3-1-2-4(10)6-5(3)11-7(12-6)8(13)14/h5-6,10-11,14-15H,1-4,7-9H2,(H2,25,31)(H,26,32)(H,27,33)(H,28,34)(H,29,30);5-6,11-13,16H,1-4,7-9H2,(H,26,31)(H,27,32)(H,28,33)(H,29,30);8-11H,1-7,15H2,(H2,16,19)(H,17,20)(H,18,21);1-2H,(H,11,12)(H,13,14)/t11-,14-,15-;12-,13-,16-;9-,10-,11-;/m000./s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide?
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide has a molecular weight of 1528.18 g/mol, XLogP of 5.92, 25 rotatable bonds, 15 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4,7-dichloro-1H-benzimidazole-2-carboxamide;4,7-dichloro-1H-benzimidazole-2-carboxylic acid;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 163907970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).