(4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid

C203H316N44O46S4+2 — CID 158242980

About (4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid

(4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid (PubChem CID 158242980) has the molecular formula C203H316N44O46S4+2 and a molecular weight of 4237.29 g/mol. Its IUPAC name is (4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid.

Molecular Properties

• Compound Name: (4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid
• PubChem CID: 158242980
• Molecular Formula: C203H316N44O46S4+2
• Molecular Weight: 4237.29 g/mol
• Exact Mass: 4234.26
• IUPAC Name: (4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid
• SMILES: CCN1C(=CC=CC=CC=CC2=[N+](CCCCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CCC(=O)O)CC(=O)CCCC(=O)O)C(N)=O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(C)ccc21.CNC(=O)[C@@H](CCC(=O)O)CC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)CC(=O)COCCCC(=O)CNC(=O)[C@H](C)CC(=O)[C@H](CSC)NC(=O)CCC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](C)CCCN=C(N)N.[H]/N=C(\N)NCCCC(CC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)[C@@H](CCCN/C(N)=N/[H])CC(=O)[C@@H](CSC1CC(=O)N(CCNC(=O)CCCCCN2/C(=C/C=C/C=C/C3=[N+](CC)c4ccc(C)cc4C3(C)C)C(C)(C)c3cc(S(=O)(=O)O)ccc32)C1=O)NC(=O)CCOCCOC)C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)C[C@H](CCCN/C(N)=N/[H])C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)CC
• InChI: InChI=1S/C90H144N26O16S2.C60H99N13O19S.C53H71N5O11S/c1-9-69(117)63(26-20-40-107-86(97)98)111-79(124)57(23-17-37-104-83(91)92)50-70(118)64(27-21-41-108-87(99)100)112-80(125)58(24-18-38-105-84(93)94)51-71(119)65(28-22-42-109-88(101)102)113-81(126)59(25-19-39-106-85(95)96)52-72(120)66(110-77(122)36-46-132-48-47-131-8)55-133-73-54-78(123)116(82(73)127)45-43-103-76(121)31-15-12-16-44-115-68-35-33-60(134(128,129)130)53-62(68)90(6,7)75(115)30-14-11-13-29-74-89(4,5)61-49-56(3)32-34-67(61)114(74)10-2;1-34(2)27-43(72-57(90)45-14-9-25-73(45)58(91)42(13-8-24-67-60(63)64)71-54(87)35(3)11-7-23-66-59(61)62)46(76)18-19-49(79)69-44(33-93-6)47(77)28-36(4)53(86)68-31-39(74)12-10-26-92-32-40(75)29-37(15-20-50(80)81)56(89)70-41(17-22-52(84)85)48(78)30-38(55(88)65-5)16-21-51(82)83;1-7-57-43-28-25-36(2)33-40(43)52(3,4)45(57)21-12-9-8-10-13-22-46-53(5,6)41-35-39(70(67,68)69)27-29-44(41)58(46)32-17-11-14-23-47(60)55-31-16-15-20-42(50(54)65)56-51(66)37(26-30-49(63)64)34-38(59)19-18-24-48(61)62/h11,13-14,29-30,32-35,49,53,57-59,63-66,73H,9-10,12,15-28,31,36-48,50-52,54-55H2,1-8H3,(H29-,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,121,122,124,125,126,128,129,130);34-38,41-45H,7-33H2,1-6H3,(H,65,88)(H,68,86)(H,69,79)(H,70,89)(H,71,87)(H,72,90)(H,80,81)(H,82,83)(H,84,85)(H4,61,62,66)(H4,63,64,67);8-10,12-13,21-22,25,27-29,33,35,37,42H,7,11,14-20,23-24,26,30-32,34H2,1-6H3,(H6-,54,55,56,60,61,62,63,64,65,66,67,68,69)/p+2/t57-,58?,59-,63+,64+,65+,66+,73?;35-,36-,37+,38+,41-,42-,43+,44+,45+;37-,42+/m010/s1
• InChIKey: GFTUNCMKZTZNJV-HEFQBLIFSA-P
• XLogP: 8.73
• TPSA: 1485.41 Ų
• H-Bond Donors: 43
• H-Bond Acceptors: 51
• Rotatable Bonds: 145
• Heavy Atoms: 297
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4237.29
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	43
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid?

The IUPAC name of (4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid (CID 158242980) is (4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid.

What is the SMILES notation for (4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid?

The canonical SMILES for (4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid is CCN1C(=CC=CC=CC=CC2=[N+](CCCCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CCC(=O)O)CC(=O)CCCC(=O)O)C(N)=O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(C)ccc21.CNC(=O)[C@@H](CCC(=O)O)CC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)CC(=O)COCCCC(=O)CNC(=O)[C@H](C)CC(=O)[C@H](CSC)NC(=O)CCC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](C)CCCN=C(N)N.[H]/N=C(\N)NCCCC(CC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)[C@@H](CCCN/C(N)=N/[H])CC(=O)[C@@H](CSC1CC(=O)N(CCNC(=O)CCCCCN2/C(=C/C=C/C=C/C3=[N+](CC)c4ccc(C)cc4C3(C)C)C(C)(C)c3cc(S(=O)(=O)O)ccc32)C1=O)NC(=O)CCOCCOC)C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)C[C@H](CCCN/C(N)=N/[H])C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)CC.

What is the InChIKey of (4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid?

The InChIKey is GFTUNCMKZTZNJV-HEFQBLIFSA-P. The full InChI is InChI=1S/C90H144N26O16S2.C60H99N13O19S.C53H71N5O11S/c1-9-69(117)63(26-20-40-107-86(97)98)111-79(124)57(23-17-37-104-83(91)92)50-70(118)64(27-21-41-108-87(99)100)112-80(125)58(24-18-38-105-84(93)94)51-71(119)65(28-22-42-109-88(101)102)113-81(126)59(25-19-39-106-85(95)96)52-72(120)66(110-77(122)36-46-132-48-47-131-8)55-133-73-54-78(123)116(82(73)127)45-43-103-76(121)31-15-12-16-44-115-68-35-33-60(134(128,129)130)53-62(68)90(6,7)75(115)30-14-11-13-29-74-89(4,5)61-49-56(3)32-34-67(61)114(74)10-2;1-34(2)27-43(72-57(90)45-14-9-25-73(45)58(91)42(13-8-24-67-60(63)64)71-54(87)35(3)11-7-23-66-59(61)62)46(76)18-19-49(79)69-44(33-93-6)47(77)28-36(4)53(86)68-31-39(74)12-10-26-92-32-40(75)29-37(15-20-50(80)81)56(89)70-41(17-22-52(84)85)48(78)30-38(55(88)65-5)16-21-51(82)83;1-7-57-43-28-25-36(2)33-40(43)52(3,4)45(57)21-12-9-8-10-13-22-46-53(5,6)41-35-39(70(67,68)69)27-29-44(41)58(46)32-17-11-14-23-47(60)55-31-16-15-20-42(50(54)65)56-51(66)37(26-30-49(63)64)34-38(59)19-18-24-48(61)62/h11,13-14,29-30,32-35,49,53,57-59,63-66,73H,9-10,12,15-28,31,36-48,50-52,54-55H2,1-8H3,(H29-,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,121,122,124,125,126,128,129,130);34-38,41-45H,7-33H2,1-6H3,(H,65,88)(H,68,86)(H,69,79)(H,70,89)(H,71,87)(H,72,90)(H,80,81)(H,82,83)(H,84,85)(H4,61,62,66)(H4,63,64,67);8-10,12-13,21-22,25,27-29,33,35,37,42H,7,11,14-20,23-24,26,30-32,34H2,1-6H3,(H6-,54,55,56,60,61,62,63,64,65,66,67,68,69)/p+2/t57-,58?,59-,63+,64+,65+,66+,73?;35-,36-,37+,38+,41-,42-,43+,44+,45+;37-,42+/m010/s1.

What are the key properties of (4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid?

(4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid has a molecular weight of 4237.29 g/mol, XLogP of 8.73, 145 rotatable bonds, 43 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[[(2R)-1-amino-6-[6-[2-[7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]-1-oxohexan-2-yl]carbamoyl]-6-oxodecanedioic acid;(2E)-1-[6-[2-[3-[(2S,5S)-8-carbamimidamido-5-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R,7S)-1,10-dicarbamimidamido-7-[[(4R)-1-carbamimidamido-5-oxoheptan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-5-oxodecan-4-yl]carbamoyl]-2-[3-(2-methoxyethoxy)propanoylamino]-3-oxooctyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid;(4R,7S)-4-[[(2S)-2-(2-carboxyethyl)-5-[5-[[(2R,5R)-5-[[(5S)-5-[[(2S)-1-[(2R)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-6-methylsulfanyl-4-oxohexanoyl]amino]-4-oxopentoxy]-4-oxopentanoyl]amino]-7-(methylcarbamoyl)-5-oxodecanedioic acid is sourced from PubChem (CID 158242980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).