(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate

C72H85Cl3N12O15 — CID 167547827

IUPAC(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
SMILESCOC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)c1cc2cc(OC)cc(Cl)c2[nH]1)CC1CC1.COc1cc(Cl)c2[nH]c(C(=O)C[C@@H](CC3CC3)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(N)=O)cc2c1.COc1cc(Cl)c2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)cc2c1
InChIInChI=1S/C25H30ClN3O6.C24H29ClN4O5.C23H26ClN5O4/c1-34-17-8-15-10-19(28-22(15)18(26)12-17)21(30)11-16(7-13-3-4-13)24(32)29-20(25(33)35-2)9-14-5-6-27-23(14)31;1-34-16-7-14-9-18(28-21(14)17(25)11-16)20(30)10-15(6-12-2-3-12)24(33)29-19(22(26)31)8-13-4-5-27-23(13)32;1-33-16-8-14-9-19(28-20(14)17(24)10-16)23(32)29-18(6-12-2-3-12)22(31)27-15(11-25)7-13-4-5-26-21(13)30/h8,10,12-14,16,20,28H,3-7,9,11H2,1-2H3,(H,27,31)(H,29,32);7,9,11-13,15,19,28H,2-6,8,10H2,1H3,(H2,26,31)(H,27,32)(H,29,33);8-10,12-13,15,18,28H,2-7H2,1H3,(H,26,30)(H,27,31)(H,29,32)/t14-,16+,20-;13-,15+,19-;13-,15-,18-/m000/s1
InChIKeyCAEJMXQCXSCOEN-XRPVVYQPSA-N
MW1464.90 g/mol
LogP7.58
Rot. Bonds31

About (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate

(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate (PubChem CID 167547827) has the molecular formula C72H85Cl3N12O15 and a molecular weight of 1464.90 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
PubChem CID167547827
Molecular FormulaC72H85Cl3N12O15
Molecular Weight1464.90 g/mol
Exact Mass1462.53
IUPAC Name(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
SMILESCOC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)c1cc2cc(OC)cc(Cl)c2[nH]1)CC1CC1.COc1cc(Cl)c2[nH]c(C(=O)C[C@@H](CC3CC3)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(N)=O)cc2c1.COc1cc(Cl)c2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)cc2c1
InChIInChI=1S/C25H30ClN3O6.C24H29ClN4O5.C23H26ClN5O4/c1-34-17-8-15-10-19(28-22(15)18(26)12-17)21(30)11-16(7-13-3-4-13)24(32)29-20(25(33)35-2)9-14-5-6-27-23(14)31;1-34-16-7-14-9-18(28-21(14)17(25)11-16)20(30)10-15(6-12-2-3-12)24(33)29-19(22(26)31)8-13-4-5-27-23(13)32;1-33-16-8-14-9-19(28-20(14)17(24)10-16)23(32)29-18(6-12-2-3-12)22(31)27-15(11-25)7-13-4-5-26-21(13)30/h8,10,12-14,16,20,28H,3-7,9,11H2,1-2H3,(H,27,31)(H,29,32);7,9,11-13,15,19,28H,2-6,8,10H2,1H3,(H2,26,31)(H,27,32)(H,29,33);8-10,12-13,15,18,28H,2-7H2,1H3,(H,26,30)(H,27,31)(H,29,32)/t14-,16+,20-;13-,15+,19-;13-,15-,18-/m000/s1
InChIKeyCAEJMXQCXSCOEN-XRPVVYQPSA-N
XLogP7.58
TPSA406.08 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds31
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001464.90
LogP ≤ 57.58
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Analyze (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate 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

7-chloro-N-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-5-methoxy-1H-indole-2-carboxamide
CID 170026515
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloro-1H-indole-2-carboxamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-chloro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;molecular hydrogen;hydrochloride
CID 167687189
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloro-4-methoxy-1H-indole-2-carboxamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide;7-chloro-4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-chloro-4-methoxy-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydrochloride
CID 167540175
methyl 2-[[2-[(7-chloro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 175458447
methyl (2S)-2-[[(2S)-2-[(6-chloro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 162479057
N-[(2S)-1-[[1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloro-1H-indole-2-carboxamide
CID 167523907
7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide
CID 166892931
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide
CID 162478927
(2R)-2-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-4,4-dimethylpentanamide
CID 167626525
4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166749625
7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 166611602
4-chloro-N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 170025404

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
The IUPAC name of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate (CID 167547827) is (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate.
What is the SMILES notation for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
The canonical SMILES for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate is COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)c1cc2cc(OC)cc(Cl)c2[nH]1)CC1CC1.COc1cc(Cl)c2[nH]c(C(=O)C[C@@H](CC3CC3)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(N)=O)cc2c1.COc1cc(Cl)c2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)cc2c1.
What is the InChIKey of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
The InChIKey is CAEJMXQCXSCOEN-XRPVVYQPSA-N. The full InChI is InChI=1S/C25H30ClN3O6.C24H29ClN4O5.C23H26ClN5O4/c1-34-17-8-15-10-19(28-22(15)18(26)12-17)21(30)11-16(7-13-3-4-13)24(32)29-20(25(33)35-2)9-14-5-6-27-23(14)31;1-34-16-7-14-9-18(28-21(14)17(25)11-16)20(30)10-15(6-12-2-3-12)24(33)29-19(22(26)31)8-13-4-5-27-23(13)32;1-33-16-8-14-9-19(28-20(14)17(24)10-16)23(32)29-18(6-12-2-3-12)22(31)27-15(11-25)7-13-4-5-26-21(13)30/h8,10,12-14,16,20,28H,3-7,9,11H2,1-2H3,(H,27,31)(H,29,32);7,9,11-13,15,19,28H,2-6,8,10H2,1H3,(H2,26,31)(H,27,32)(H,29,33);8-10,12-13,15,18,28H,2-7H2,1H3,(H,26,30)(H,27,31)(H,29,32)/t14-,16+,20-;13-,15+,19-;13-,15-,18-/m000/s1.
What are the key properties of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate has a molecular weight of 1464.90 g/mol, XLogP of 7.58, 31 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate is sourced from PubChem (CID 167547827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).