2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid

C133H217N32O45P3 — CID 159188659

About 2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid

2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid (PubChem CID 159188659) has the molecular formula C133H217N32O45P3 and a molecular weight of 3077.30 g/mol. Its IUPAC name is 2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid
• PubChem CID: 159188659
• Molecular Formula: C133H217N32O45P3
• Molecular Weight: 3077.30 g/mol
• Exact Mass: 3075.49
• IUPAC Name: 2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid
• SMILES: [H]/N=C(\N)NCCC[C@@H]1NC(=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](Cc4ccccc4)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN/C(N)=N/[H])NC3=O)CCN(CP(=O)(O)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCCC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](CCCN/C(N)=N/[H])NC3=O)CC2)CC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O
• InChI: InChI=1S/C133H217N32O45P3/c134-131(135)146-40-16-28-96-121(183)149-86-114(173)152-104(83-117(176)177)128(190)160-101(79-92-19-4-1-5-20-92)107(166)82-95(120(182)155-96)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)141-38-14-11-26-99-124(186)156-97(29-17-41-147-132(136)137)122(184)150-87-115(174)153-105(84-118(178)179)129(191)161-102(126(188)158-99)80-93-21-6-2-7-22-93)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)142-39-15-12-27-100-125(187)157-98(30-18-42-148-133(138)139)123(185)151-88-116(175)154-106(85-119(180)181)130(192)162-103(127(189)159-100)81-94-23-8-3-9-24-94/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,155,182)(H,156,186)(H,157,187)(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+/m1/s1
• InChIKey: KNUPEGAKBHJHIK-SLUNIOHHSA-N
• XLogP: -8.42
• TPSA: 1129.05 Ų
• H-Bond Donors: 35
• 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	-8.42
H-Bond Donors ≤ 5	35
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 2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid?

The IUPAC name of 2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid (CID 159188659) is 2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid.

What is the SMILES notation for 2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid?

The canonical SMILES for 2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid is [H]/N=C(\N)NCCC[C@@H]1NC(=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](Cc4ccccc4)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN/C(N)=N/[H])NC3=O)CCN(CP(=O)(O)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCCC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](CCCN/C(N)=N/[H])NC3=O)CC2)CC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O.

What is the InChIKey of 2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid?

The InChIKey is KNUPEGAKBHJHIK-SLUNIOHHSA-N. The full InChI is InChI=1S/C133H217N32O45P3/c134-131(135)146-40-16-28-96-121(183)149-86-114(173)152-104(83-117(176)177)128(190)160-101(79-92-19-4-1-5-20-92)107(166)82-95(120(182)155-96)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)141-38-14-11-26-99-124(186)156-97(29-17-41-147-132(136)137)122(184)150-87-115(174)153-105(84-118(178)179)129(191)161-102(126(188)158-99)80-93-21-6-2-7-22-93)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)142-39-15-12-27-100-125(187)157-98(30-18-42-148-133(138)139)123(185)151-88-116(175)154-106(85-119(180)181)130(192)162-103(127(189)159-100)81-94-23-8-3-9-24-94/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,155,182)(H,156,186)(H,157,187)(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+/m1/s1.

What are the key properties of 2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid?

2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid has a molecular weight of 3077.30 g/mol, XLogP of -8.42, 99 rotatable bonds, 35 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S,9S,12R,15S)-15-benzyl-12-[4-[3-[2-[2-[2-[2-[3-[[7-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14S)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-4-[[[3-[2-[2-[2-[2-[3-[4-[(2S,5R,11R,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-9-(3-carbamimidamidopropyl)-2,5,8,11,14-pentaoxo-1,4,7,10-tetrazacyclopentadec-3-yl]acetic acid is sourced from PubChem (CID 159188659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).