(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid)

C143H165F12N23O33 — CID 158974321

About (3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid)

(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid) (PubChem CID 158974321) has the molecular formula C143H165F12N23O33 and a molecular weight of 2962.00 g/mol. Its IUPAC name is (3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: (3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid)
• PubChem CID: 158974321
• Molecular Formula: C143H165F12N23O33
• Molecular Weight: 2962.00 g/mol
• Exact Mass: 2960.17
• IUPAC Name: (3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid)
• SMILES: NC(=O)NCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCC(NC(=O)Cc3ccccc3)C(=O)N21)C(=O)N[C@H](CC(=O)O)Cc1ccccc1.NC(N)=NCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCC(NC(=O)Cc3ccccc3)C(=O)N21)C(=O)N[C@H](CCc1ccccc1)CC(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@@H]1CC[C@@H]2CCC(NC(=O)Cc3ccccc3)C(=O)N21.O=C(O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1CC[C@@H]2CCC(NC(=O)Cc3ccccc3)C(=O)N21
• InChI: InChI=1S/2C35H39N5O6.C33H43N7O6.C32H40N6O7.4C2HF3O2/c41-31(20-24-10-5-2-6-11-24)38-28-15-13-27-14-16-30(40(27)35(28)46)34(45)39-29(19-25-12-7-17-36-22-25)33(44)37-26(21-32(42)43)18-23-8-3-1-4-9-23;41-31(21-24-9-5-2-6-10-24)38-28-13-11-27-12-14-30(40(27)35(28)46)34(45)39-29(20-25-15-17-36-18-16-25)33(44)37-26(22-32(42)43)19-23-7-3-1-4-8-23;34-33(35)36-18-17-25(30(44)37-23(20-29(42)43)12-11-21-7-3-1-4-8-21)39-31(45)27-16-14-24-13-15-26(32(46)40(24)27)38-28(41)19-22-9-5-2-6-10-22;33-32(45)34-16-15-24(29(42)35-22(19-28(40)41)17-20-7-3-1-4-8-20)37-30(43)26-14-12-23-11-13-25(31(44)38(23)26)36-27(39)18-21-9-5-2-6-10-21;4*3-2(4,5)1(6)7/h1-12,17,22,26-30H,13-16,18-21H2,(H,37,44)(H,38,41)(H,39,45)(H,42,43);1-10,15-18,26-30H,11-14,19-22H2,(H,37,44)(H,38,41)(H,39,45)(H,42,43);1-10,23-27H,11-20H2,(H,37,44)(H,38,41)(H,39,45)(H,42,43)(H4,34,35,36);1-10,22-26H,11-19H2,(H,35,42)(H,36,39)(H,37,43)(H,40,41)(H3,33,34,45);4*(H,6,7)/t2*26-,27-,28?,29-,30-;23-,24+,25+,26?,27+;22-,23-,24-,25?,26-;;;;/m0010..../s1
• InChIKey: ZNCJUFNKRQJETI-QAIGFYKCSA-N
• XLogP: 8.14
• TPSA: 874.14 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 28
• Rotatable Bonds: 55
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2962.00
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid)?

The IUPAC name of (3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid) (CID 158974321) is (3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for (3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for (3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid) is NC(=O)NCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCC(NC(=O)Cc3ccccc3)C(=O)N21)C(=O)N[C@H](CC(=O)O)Cc1ccccc1.NC(N)=NCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCC(NC(=O)Cc3ccccc3)C(=O)N21)C(=O)N[C@H](CCc1ccccc1)CC(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@@H]1CC[C@@H]2CCC(NC(=O)Cc3ccccc3)C(=O)N21.O=C(O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1CC[C@@H]2CCC(NC(=O)Cc3ccccc3)C(=O)N21.

What is the InChIKey of (3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid)?

The InChIKey is ZNCJUFNKRQJETI-QAIGFYKCSA-N. The full InChI is InChI=1S/2C35H39N5O6.C33H43N7O6.C32H40N6O7.4C2HF3O2/c41-31(20-24-10-5-2-6-11-24)38-28-15-13-27-14-16-30(40(27)35(28)46)34(45)39-29(19-25-12-7-17-36-22-25)33(44)37-26(21-32(42)43)18-23-8-3-1-4-9-23;41-31(21-24-9-5-2-6-10-24)38-28-13-11-27-12-14-30(40(27)35(28)46)34(45)39-29(20-25-15-17-36-18-16-25)33(44)37-26(22-32(42)43)19-23-7-3-1-4-8-23;34-33(35)36-18-17-25(30(44)37-23(20-29(42)43)12-11-21-7-3-1-4-8-21)39-31(45)27-16-14-24-13-15-26(32(46)40(24)27)38-28(41)19-22-9-5-2-6-10-22;33-32(45)34-16-15-24(29(42)35-22(19-28(40)41)17-20-7-3-1-4-8-20)37-30(43)26-14-12-23-11-13-25(31(44)38(23)26)36-27(39)18-21-9-5-2-6-10-21;4*3-2(4,5)1(6)7/h1-12,17,22,26-30H,13-16,18-21H2,(H,37,44)(H,38,41)(H,39,45)(H,42,43);1-10,15-18,26-30H,11-14,19-22H2,(H,37,44)(H,38,41)(H,39,45)(H,42,43);1-10,23-27H,11-20H2,(H,37,44)(H,38,41)(H,39,45)(H,42,43)(H4,34,35,36);1-10,22-26H,11-19H2,(H,35,42)(H,36,39)(H,37,43)(H,40,41)(H3,33,34,45);4*(H,6,7)/t2*26-,27-,28?,29-,30-;23-,24+,25+,26?,27+;22-,23-,24-,25?,26-;;;;/m0010..../s1.

What are the key properties of (3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid)?

(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2962.00 g/mol, XLogP of 8.14, 55 rotatable bonds, 24 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158974321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).