[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate

C133H217N32O45P3 — CID 147036927

About [3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate

[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate (PubChem CID 147036927) has the molecular formula C133H217N32O45P3 and a molecular weight of 3077.30 g/mol. Its IUPAC name is [3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate.

Molecular Properties

• Compound Name: [3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate
• PubChem CID: 147036927
• Molecular Formula: C133H217N32O45P3
• Molecular Weight: 3077.30 g/mol
• Exact Mass: 3075.49
• IUPAC Name: [3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate
• SMILES: NC(=[NH2+])NCCC[C@H]1NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCP(=O)([O-])CN2CCN(CP(=O)([O-])CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCCC[C@H]3NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC3=O)CCN(CP(=O)([O-])CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCCC[C@H]3NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC3=O)CC2)CC1=O
• InChI: InChI=1S/C133H217N32O45P3/c134-131(135)146-40-16-28-96-107(166)82-95(120(182)157-101(79-92-19-4-1-5-20-92)128(190)160-104(83-117(176)177)121(183)149-86-114(173)152-96)25-10-13-37-140-108(167)31-52-199-58-64-205-70-73-208-67-61-202-55-43-143-111(170)34-76-211(193,194)89-163-46-48-164(90-212(195,196)77-35-112(171)144-44-56-203-62-68-209-74-71-206-65-59-200-53-32-109(168)141-38-14-11-26-99-126(188)158-102(80-93-21-6-2-7-22-93)129(191)161-105(84-118(178)179)122(184)150-87-115(174)153-97(124(186)155-99)29-17-41-147-132(136)137)50-51-165(49-47-163)91-213(197,198)78-36-113(172)145-45-57-204-63-69-210-75-72-207-66-60-201-54-33-110(169)142-39-15-12-27-100-127(189)159-103(81-94-23-8-3-9-24-94)130(192)162-106(85-119(180)181)123(185)151-88-116(175)154-98(125(187)156-100)30-18-42-148-133(138)139/h1-9,19-24,95-106H,10-18,25-91H2,(H,140,167)(H,141,168)(H,142,169)(H,143,170)(H,144,171)(H,145,172)(H,149,183)(H,150,184)(H,151,185)(H,152,173)(H,153,174)(H,154,175)(H,155,186)(H,156,187)(H,157,182)(H,158,188)(H,159,189)(H,160,190)(H,161,191)(H,162,192)(H,176,177)(H,178,179)(H,180,181)(H,193,194)(H,195,196)(H,197,198)(H4,134,135,146)(H4,136,137,147)(H4,138,139,148)/t95-,96+,97+,98+,99+,100+,101+,102-,103-,104+,105+,106+/m0/s1
• InChIKey: AYRJHILCMGVIGB-RINHAQIMSA-N
• XLogP: -15.78
• TPSA: 1142.76 Ų
• H-Bond Donors: 32
• H-Bond Acceptors: 45
• Rotatable Bonds: 99
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3077.30
LogP ≤ 5	-15.78
H-Bond Donors ≤ 5	32
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate?

The IUPAC name of [3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate (CID 147036927) is [3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate.

What is the SMILES notation for [3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate?

The canonical SMILES for [3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate is NC(=[NH2+])NCCC[C@H]1NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCP(=O)([O-])CN2CCN(CP(=O)([O-])CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCCC[C@H]3NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC3=O)CCN(CP(=O)([O-])CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCCC[C@H]3NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC3=O)CC2)CC1=O.

What is the InChIKey of [3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate?

The InChIKey is AYRJHILCMGVIGB-RINHAQIMSA-N. The full InChI is InChI=1S/C133H217N32O45P3/c134-131(135)146-40-16-28-96-107(166)82-95(120(182)157-101(79-92-19-4-1-5-20-92)128(190)160-104(83-117(176)177)121(183)149-86-114(173)152-96)25-10-13-37-140-108(167)31-52-199-58-64-205-70-73-208-67-61-202-55-43-143-111(170)34-76-211(193,194)89-163-46-48-164(90-212(195,196)77-35-112(171)144-44-56-203-62-68-209-74-71-206-65-59-200-53-32-109(168)141-38-14-11-26-99-126(188)158-102(80-93-21-6-2-7-22-93)129(191)161-105(84-118(178)179)122(184)150-87-115(174)153-97(124(186)155-99)29-17-41-147-132(136)137)50-51-165(49-47-163)91-213(197,198)78-36-113(172)145-45-57-204-63-69-210-75-72-207-66-60-201-54-33-110(169)142-39-15-12-27-100-127(189)159-103(81-94-23-8-3-9-24-94)130(192)162-106(85-119(180)181)123(185)151-88-116(175)154-98(125(187)156-100)30-18-42-148-133(138)139/h1-9,19-24,95-106H,10-18,25-91H2,(H,140,167)(H,141,168)(H,142,169)(H,143,170)(H,144,171)(H,145,172)(H,149,183)(H,150,184)(H,151,185)(H,152,173)(H,153,174)(H,154,175)(H,155,186)(H,156,187)(H,157,182)(H,158,188)(H,159,189)(H,160,190)(H,161,191)(H,162,192)(H,176,177)(H,178,179)(H,180,181)(H,193,194)(H,195,196)(H,197,198)(H4,134,135,146)(H4,136,137,147)(H4,138,139,148)/t95-,96+,97+,98+,99+,100+,101+,102-,103-,104+,105+,106+/m0/s1.

What are the key properties of [3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate?

[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate has a molecular weight of 3077.30 g/mol, XLogP of -15.78, 99 rotatable bonds, 32 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[[4-[[[3-[2-[2-[2-[2-[3-[4-[(2R,5S,8R,14R)-14-[3-[[amino(azaniumylidene)methyl]amino]propyl]-5-benzyl-8-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-7-[[[3-[2-[2-[2-[2-[3-[4-[(6R,9R,12S,15R)-15-[3-[[amino(azaniumylidene)methyl]amino]propyl]-9-benzyl-6-(carboxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-12-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-oxidophosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl]phosphinate is sourced from PubChem (CID 147036927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).