(E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid

C164H248N22O24 — CID 158178710

About (E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid

(E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid (PubChem CID 158178710) has the molecular formula C164H248N22O24 and a molecular weight of 2911.92 g/mol. Its IUPAC name is (E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid.

Molecular Properties

• Compound Name: (E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
• PubChem CID: 158178710
• Molecular Formula: C164H248N22O24
• Molecular Weight: 2911.92 g/mol
• Exact Mass: 2909.89
• IUPAC Name: (E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
• SMILES: C/C(=C\[C@@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1N(C)Cc2c(c3ccccc3n2C)C1(C)C)C(C)(C)C)C(=O)O.CN[C@@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1.CN[C@@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](C(=O)N(C)C/C=C(\C)C(=O)O)C(C)(C)C.CN[C@@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](C(=O)N(C)[C@H](C)/C=C(\C)C(=O)O)C(C)(C)C.CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1.CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C)/C=C(\C)C(=O)O)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12
• InChI: InChI=1S/C31H46N4O4.C28H42N4O4.2C27H43N3O4.C26H38N4O4.C25H36N4O4/c1-18(2)22(16-19(3)29(38)39)35(11)28(37)25(30(4,5)6)32-27(36)26-31(7,8)24-20-14-12-13-15-21(20)34(10)23(24)17-33(26)9;1-17(26(35)36)15-18(2)32(10)25(34)23(27(3,4)5)30-24(33)22(29-8)28(6,7)20-16-31(9)21-14-12-11-13-19(20)21;2*1-17(2)20(16-18(3)25(33)34)30(10)24(32)22(26(4,5)6)29-23(31)21(28-9)27(7,8)19-14-12-11-13-15-19;1-16(25(33)34)13-17(2)30(8)24(32)22(26(3,4)5)28-23(31)20(27-6)14-18-15-29(7)21-12-10-9-11-19(18)21;1-16(24(32)33)12-13-28(6)23(31)21(25(2,3)4)27-22(30)19(26-5)14-17-15-29(7)20-11-9-8-10-18(17)20/h12-16,18,22,25-26H,17H2,1-11H3,(H,32,36)(H,38,39);11-16,18,22-23,29H,1-10H3,(H,30,33)(H,35,36);2*11-17,20-22,28H,1-10H3,(H,29,31)(H,33,34);9-13,15,17,20,22,27H,14H2,1-8H3,(H,28,31)(H,33,34);8-12,15,19,21,26H,13-14H2,1-7H3,(H,27,30)(H,32,33)/b19-16+;17-15+;2*18-16+;16-13+;16-12+/t22-,25+,26+;18-,22-,23-;20-,21+,22-;20-,21-,22-;17-,20+,22-;19-,21+/m011110/s1
• InChIKey: FYHUFGQQHDDCFN-CILNJNRBSA-N
• XLogP: 20.01
• TPSA: 603.37 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 28
• Rotatable Bonds: 54
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2911.92
LogP ≤ 5	20.01
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid?

The IUPAC name of (E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid (CID 158178710) is (E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid.

What is the SMILES notation for (E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid?

The canonical SMILES for (E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid is C/C(=C\[C@@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1N(C)Cc2c(c3ccccc3n2C)C1(C)C)C(C)(C)C)C(=O)O.CN[C@@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1.CN[C@@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](C(=O)N(C)C/C=C(\C)C(=O)O)C(C)(C)C.CN[C@@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](C(=O)N(C)[C@H](C)/C=C(\C)C(=O)O)C(C)(C)C.CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1.CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C)/C=C(\C)C(=O)O)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12.

What is the InChIKey of (E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid?

The InChIKey is FYHUFGQQHDDCFN-CILNJNRBSA-N. The full InChI is InChI=1S/C31H46N4O4.C28H42N4O4.2C27H43N3O4.C26H38N4O4.C25H36N4O4/c1-18(2)22(16-19(3)29(38)39)35(11)28(37)25(30(4,5)6)32-27(36)26-31(7,8)24-20-14-12-13-15-21(20)34(10)23(24)17-33(26)9;1-17(26(35)36)15-18(2)32(10)25(34)23(27(3,4)5)30-24(33)22(29-8)28(6,7)20-16-31(9)21-14-12-11-13-19(20)21;2*1-17(2)20(16-18(3)25(33)34)30(10)24(32)22(26(4,5)6)29-23(31)21(28-9)27(7,8)19-14-12-11-13-15-19;1-16(25(33)34)13-17(2)30(8)24(32)22(26(3,4)5)28-23(31)20(27-6)14-18-15-29(7)21-12-10-9-11-19(18)21;1-16(24(32)33)12-13-28(6)23(31)21(25(2,3)4)27-22(30)19(26-5)14-17-15-29(7)20-11-9-8-10-18(17)20/h12-16,18,22,25-26H,17H2,1-11H3,(H,32,36)(H,38,39);11-16,18,22-23,29H,1-10H3,(H,30,33)(H,35,36);2*11-17,20-22,28H,1-10H3,(H,29,31)(H,33,34);9-13,15,17,20,22,27H,14H2,1-8H3,(H,28,31)(H,33,34);8-12,15,19,21,26H,13-14H2,1-7H3,(H,27,30)(H,32,33)/b19-16+;17-15+;2*18-16+;16-13+;16-12+/t22-,25+,26+;18-,22-,23-;20-,21+,22-;20-,21-,22-;17-,20+,22-;19-,21+/m011110/s1.

What are the key properties of (E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid?

(E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid has a molecular weight of 2911.92 g/mol, XLogP of 20.01, 54 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid is sourced from PubChem (CID 158178710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).