1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid

C177H231N28O38S8+3 — CID 158836621

About 1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid

1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid (PubChem CID 158836621) has the molecular formula C177H231N28O38S8+3 and a molecular weight of 3615.49 g/mol. Its IUPAC name is 1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid
• PubChem CID: 158836621
• Molecular Formula: C177H231N28O38S8+3
• Molecular Weight: 3615.49 g/mol
• Exact Mass: 3612.48
• IUPAC Name: 1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid
• SMILES: CCCC[N+]1=C(/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccccc3C2(C)CCC)C(C)(C)c2c(C(=O)OCCCS(=O)(=O)O)cc(C(=O)NC3CCN(c4nc(N5CCC(NC(=O)CCCCCNC(=O)c6cc(-c7cc8c(c9ccccc79)[N+](CCCS(=O)(=O)O)=C(/C=C/C=C7/N(CCC)c9c(cc(-c%10cc(C(=O)NCCCCCC(=O)NC%11CCN(c%12nc(N%13CCCCC%13)nc(N%13CCC(NC(=O)c%14cc(C(=O)OCCC)c%15c(c%14)[N+](CCCS(=O)(=O)O)=C(/C=C/C=C%14/N(CCC)c%16ccc(S(=O)(=O)O)cc%16C%14(C)CCCS(=O)(=O)O)C%15(C)C)CC%13)n%12)CC%11)nc(C(=O)NCCS(=O)(=O)O)c%10)c%10ccc(S(=O)(=O)O)cc9%10)C7(C)C)C8(C)C)cc(C(=O)NCC)n6)CC5)nc(N5CCC(C(=O)O)CC5)n4)CC3)cc21
• InChI: InChI=1S/C177H228N28O38S8/c1-17-23-80-202-143-108-118(103-132(165(217)243-95-44-100-248(230,231)232)154(143)174(11,12)147(202)51-38-53-149-176(15,71-18-2)133-47-31-32-48-141(133)201(149)81-41-97-245(221,222)223)158(209)185-122-69-92-199(93-70-122)171-191-167(195-84-61-114(62-85-195)163(214)215)190-170(193-171)197-88-65-120(66-89-197)183-152(207)55-27-24-33-73-179-160(211)138-105-115(104-137(186-138)159(210)178-22-6)128-112-135-155(127-46-30-29-45-125(127)128)205(83-43-99-247(227,228)229)146(172(135,7)8)50-37-49-145-173(9,10)136-113-129(126-59-57-123(250(236,237)238)110-130(126)156(136)204(145)77-20-4)116-106-139(187-140(107-116)162(213)181-75-101-249(233,234)235)161(212)180-74-34-25-28-56-151(206)182-119-63-86-196(87-64-119)168-188-166(194-78-35-26-36-79-194)189-169(192-168)198-90-67-121(68-91-198)184-157(208)117-102-131(164(216)242-94-21-5)153-144(109-117)203(82-42-98-246(224,225)226)148(175(153,13)14)52-39-54-150-177(16,72-40-96-244(218,219)220)134-111-124(251(239,240)241)58-60-142(134)200(150)76-19-3/h29-32,37-39,45-54,57-60,102-114,119-122H,17-28,33-36,40-44,55-56,61-101H2,1-16H3,(H14-3,178,179,180,181,182,183,184,185,206,207,208,209,210,211,212,213,214,215,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241)/p+3
• InChIKey: OYCUYSCXISKLPS-UHFFFAOYSA-Q
• XLogP: 21.31
• TPSA: 898.97 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 46
• Rotatable Bonds: 76
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3615.49
LogP ≤ 5	21.31
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid?

The IUPAC name of 1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid (CID 158836621) is 1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid.

What is the SMILES notation for 1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid?

The canonical SMILES for 1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid is CCCC[N+]1=C(/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccccc3C2(C)CCC)C(C)(C)c2c(C(=O)OCCCS(=O)(=O)O)cc(C(=O)NC3CCN(c4nc(N5CCC(NC(=O)CCCCCNC(=O)c6cc(-c7cc8c(c9ccccc79)[N+](CCCS(=O)(=O)O)=C(/C=C/C=C7/N(CCC)c9c(cc(-c%10cc(C(=O)NCCCCCC(=O)NC%11CCN(c%12nc(N%13CCCCC%13)nc(N%13CCC(NC(=O)c%14cc(C(=O)OCCC)c%15c(c%14)[N+](CCCS(=O)(=O)O)=C(/C=C/C=C%14/N(CCC)c%16ccc(S(=O)(=O)O)cc%16C%14(C)CCCS(=O)(=O)O)C%15(C)C)CC%13)n%12)CC%11)nc(C(=O)NCCS(=O)(=O)O)c%10)c%10ccc(S(=O)(=O)O)cc9%10)C7(C)C)C8(C)C)cc(C(=O)NCC)n6)CC5)nc(N5CCC(C(=O)O)CC5)n4)CC3)cc21.

What is the InChIKey of 1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid?

The InChIKey is OYCUYSCXISKLPS-UHFFFAOYSA-Q. The full InChI is InChI=1S/C177H228N28O38S8/c1-17-23-80-202-143-108-118(103-132(165(217)243-95-44-100-248(230,231)232)154(143)174(11,12)147(202)51-38-53-149-176(15,71-18-2)133-47-31-32-48-141(133)201(149)81-41-97-245(221,222)223)158(209)185-122-69-92-199(93-70-122)171-191-167(195-84-61-114(62-85-195)163(214)215)190-170(193-171)197-88-65-120(66-89-197)183-152(207)55-27-24-33-73-179-160(211)138-105-115(104-137(186-138)159(210)178-22-6)128-112-135-155(127-46-30-29-45-125(127)128)205(83-43-99-247(227,228)229)146(172(135,7)8)50-37-49-145-173(9,10)136-113-129(126-59-57-123(250(236,237)238)110-130(126)156(136)204(145)77-20-4)116-106-139(187-140(107-116)162(213)181-75-101-249(233,234)235)161(212)180-74-34-25-28-56-151(206)182-119-63-86-196(87-64-119)168-188-166(194-78-35-26-36-79-194)189-169(192-168)198-90-67-121(68-91-198)184-157(208)117-102-131(164(216)242-94-21-5)153-144(109-117)203(82-42-98-246(224,225)226)148(175(153,13)14)52-39-54-150-177(16,72-40-96-244(218,219)220)134-111-124(251(239,240)241)58-60-142(134)200(150)76-19-3/h29-32,37-39,45-54,57-60,102-114,119-122H,17-28,33-36,40-44,55-56,61-101H2,1-16H3,(H14-3,178,179,180,181,182,183,184,185,206,207,208,209,210,211,212,213,214,215,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241)/p+3.

What are the key properties of 1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid?

1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid has a molecular weight of 3615.49 g/mol, XLogP of 21.31, 76 rotatable bonds, 17 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[[1-butyl-3,3-dimethyl-2-[(E,3E)-3-[3-methyl-3-propyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-(3-sulfopropoxycarbonyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-[4-[6-[[4-[2-[(E,3E)-3-[5-[2-[[6-[[1-[4-[4-[[3,3-dimethyl-2-[(E,3E)-3-[3-methyl-1-propyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-4-propoxycarbonyl-1-(3-sulfopropyl)indol-1-ium-6-carbonyl]amino]piperidin-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-6-oxohexyl]carbamoyl]-6-(2-sulfoethylcarbamoyl)-4-pyridinyl]-3,3-dimethyl-1-propyl-8-sulfobenzo[g]indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-1-ium-5-yl]-6-(ethylcarbamoyl)pyridine-2-carbonyl]amino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 158836621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).