(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride

C126H171Cl2N23O31 — CID 163598756

IUPAC(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride
SMILESCOC(=O)[C@@H](N)C[C@@H]1CCCNC1=O.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)OCc1ccccc1.Cl.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)OCc1ccccc1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2cnccc2[nH]1.N[C@@H](CC1CC1)C(=O)O.O=C(Cl)OCc1ccccc1.O=C(N[C@@H](CC1CC1)C(=O)O)OCc1ccccc1.O=C(O)c1cc2cnccc2[nH]1
InChIInChI=1S/C23H31N3O6.C22H28N6O4.C22H30N4O5.C14H24N4O3.C14H17NO4.C9H16N2O3.C8H7ClO2.C8H6N2O2.C6H11NO2.ClH/c1-31-22(29)19(13-17-8-5-11-24-20(17)27)25-21(28)18(12-15-9-10-15)26-23(30)32-14-16-6-3-2-4-7-16;23-19(29)16(9-13-2-1-6-25-20(13)30)27-21(31)17(8-12-3-4-12)28-22(32)18-10-14-11-24-7-5-15(14)26-18;23-19(27)17(12-16-7-4-10-24-20(16)28)25-21(29)18(11-14-8-9-14)26-22(30)31-13-15-5-2-1-3-6-15;15-10(6-8-3-4-8)14(21)18-11(12(16)19)7-9-2-1-5-17-13(9)20;16-13(17)12(8-10-6-7-10)15-14(18)19-9-11-4-2-1-3-5-11;1-14-9(13)7(10)5-6-3-2-4-11-8(6)12;9-8(10)11-6-7-4-2-1-3-5-7;11-8(12)7-3-5-4-9-2-1-6(5)10-7;7-5(6(8)9)3-4-1-2-4;/h2-4,6-7,15,17-19H,5,8-14H2,1H3,(H,24,27)(H,25,28)(H,26,30);5,7,10-13,16-17,26H,1-4,6,8-9H2,(H2,23,29)(H,25,30)(H,27,31)(H,28,32);1-3,5-6,14,16-18H,4,7-13H2,(H2,23,27)(H,24,28)(H,25,29)(H,26,30);8-11H,1-7,15H2,(H2,16,19)(H,17,20)(H,18,21);1-5,10,12H,6-9H2,(H,15,18)(H,16,17);6-7H,2-5,10H2,1H3,(H,11,12);1-5H,6H2;1-4,10H,(H,11,12);4-5H,1-3,7H2,(H,8,9);1H/t17-,18-,19-;13-,16-,17-;16-,17-,18-;9-,10-,11-;12-;6-,7-;;;5-;/m000000..0./s1
InChIKeyQJJTZFKXLRKEAE-UBBUOEGTSA-N
MW2574.79 g/mol
LogP7.98
Rot. Bonds51

About (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride

(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 163598756) has the molecular formula C126H171Cl2N23O31 and a molecular weight of 2574.79 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;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride
PubChem CID163598756
Molecular FormulaC126H171Cl2N23O31
Molecular Weight2574.79 g/mol
Exact Mass2572.19
IUPAC Name(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride
SMILESCOC(=O)[C@@H](N)C[C@@H]1CCCNC1=O.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)OCc1ccccc1.Cl.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)OCc1ccccc1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2cnccc2[nH]1.N[C@@H](CC1CC1)C(=O)O.O=C(Cl)OCc1ccccc1.O=C(N[C@@H](CC1CC1)C(=O)O)OCc1ccccc1.O=C(O)c1cc2cnccc2[nH]1
InChIInChI=1S/C23H31N3O6.C22H28N6O4.C22H30N4O5.C14H24N4O3.C14H17NO4.C9H16N2O3.C8H7ClO2.C8H6N2O2.C6H11NO2.ClH/c1-31-22(29)19(13-17-8-5-11-24-20(17)27)25-21(28)18(12-15-9-10-15)26-23(30)32-14-16-6-3-2-4-7-16;23-19(29)16(9-13-2-1-6-25-20(13)30)27-21(31)17(8-12-3-4-12)28-22(32)18-10-14-11-24-7-5-15(14)26-18;23-19(27)17(12-16-7-4-10-24-20(16)28)25-21(29)18(11-14-8-9-14)26-22(30)31-13-15-5-2-1-3-6-15;15-10(6-8-3-4-8)14(21)18-11(12(16)19)7-9-2-1-5-17-13(9)20;16-13(17)12(8-10-6-7-10)15-14(18)19-9-11-4-2-1-3-5-11;1-14-9(13)7(10)5-6-3-2-4-11-8(6)12;9-8(10)11-6-7-4-2-1-3-5-7;11-8(12)7-3-5-4-9-2-1-6(5)10-7;7-5(6(8)9)3-4-1-2-4;/h2-4,6-7,15,17-19H,5,8-14H2,1H3,(H,24,27)(H,25,28)(H,26,30);5,7,10-13,16-17,26H,1-4,6,8-9H2,(H2,23,29)(H,25,30)(H,27,31)(H,28,32);1-3,5-6,14,16-18H,4,7-13H2,(H2,23,27)(H,24,28)(H,25,29)(H,26,30);8-11H,1-7,15H2,(H2,16,19)(H,17,20)(H,18,21);1-5,10,12H,6-9H2,(H,15,18)(H,16,17);6-7H,2-5,10H2,1H3,(H,11,12);1-5H,6H2;1-4,10H,(H,11,12);4-5H,1-3,7H2,(H,8,9);1H/t17-,18-,19-;13-,16-,17-;16-,17-,18-;9-,10-,11-;12-;6-,7-;;;5-;/m000000..0./s1
InChIKeyQJJTZFKXLRKEAE-UBBUOEGTSA-N
XLogP7.98
TPSA861.48 Ų
H-Bond Donors24
H-Bond Acceptors33
Rotatable Bonds51
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002574.79
LogP ≤ 57.98
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride with MolForge

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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;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride (CID 163598756) is (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride.
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;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride is COC(=O)[C@@H](N)C[C@@H]1CCCNC1=O.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)OCc1ccccc1.Cl.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)OCc1ccccc1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2cnccc2[nH]1.N[C@@H](CC1CC1)C(=O)O.O=C(Cl)OCc1ccccc1.O=C(N[C@@H](CC1CC1)C(=O)O)OCc1ccccc1.O=C(O)c1cc2cnccc2[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;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is QJJTZFKXLRKEAE-UBBUOEGTSA-N. The full InChI is InChI=1S/C23H31N3O6.C22H28N6O4.C22H30N4O5.C14H24N4O3.C14H17NO4.C9H16N2O3.C8H7ClO2.C8H6N2O2.C6H11NO2.ClH/c1-31-22(29)19(13-17-8-5-11-24-20(17)27)25-21(28)18(12-15-9-10-15)26-23(30)32-14-16-6-3-2-4-7-16;23-19(29)16(9-13-2-1-6-25-20(13)30)27-21(31)17(8-12-3-4-12)28-22(32)18-10-14-11-24-7-5-15(14)26-18;23-19(27)17(12-16-7-4-10-24-20(16)28)25-21(29)18(11-14-8-9-14)26-22(30)31-13-15-5-2-1-3-6-15;15-10(6-8-3-4-8)14(21)18-11(12(16)19)7-9-2-1-5-17-13(9)20;16-13(17)12(8-10-6-7-10)15-14(18)19-9-11-4-2-1-3-5-11;1-14-9(13)7(10)5-6-3-2-4-11-8(6)12;9-8(10)11-6-7-4-2-1-3-5-7;11-8(12)7-3-5-4-9-2-1-6(5)10-7;7-5(6(8)9)3-4-1-2-4;/h2-4,6-7,15,17-19H,5,8-14H2,1H3,(H,24,27)(H,25,28)(H,26,30);5,7,10-13,16-17,26H,1-4,6,8-9H2,(H2,23,29)(H,25,30)(H,27,31)(H,28,32);1-3,5-6,14,16-18H,4,7-13H2,(H2,23,27)(H,24,28)(H,25,29)(H,26,30);8-11H,1-7,15H2,(H2,16,19)(H,17,20)(H,18,21);1-5,10,12H,6-9H2,(H,15,18)(H,16,17);6-7H,2-5,10H2,1H3,(H,11,12);1-5H,6H2;1-4,10H,(H,11,12);4-5H,1-3,7H2,(H,8,9);1H/t17-,18-,19-;13-,16-,17-;16-,17-,18-;9-,10-,11-;12-;6-,7-;;;5-;/m000000..0./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;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride?
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 2574.79 g/mol, XLogP of 7.98, 51 rotatable bonds, 24 hydrogen bond donors, and 33 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;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 163598756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).