(4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid

C128H178IN29O39 — CID 164792636

About (4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid

(4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid (PubChem CID 164792636) has the molecular formula C128H178IN29O39 and a molecular weight of 2873.90 g/mol. Its IUPAC name is (4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid
• PubChem CID: 164792636
• Molecular Formula: C128H178IN29O39
• Molecular Weight: 2873.90 g/mol
• Exact Mass: 2872.19
• IUPAC Name: (4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid
• SMILES: CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(CN2CCN(C(=O)CCNC(=O)C(CCC(=O)N3CCN(Cc4ccc(-n5c(C(=O)NCC)nnc5-c5cc(C(C)C)c(O)cc5O)cc4)CC3)NC(=O)CCNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)COCCOCCNC(=O)[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CC[C@H](C(=O)O)N3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCCc3ccc(I)cc3)CC2)cc1
• InChI: InChI=1S/C128H178IN29O39/c1-7-130-126(192)118-147-145-116(87-64-85(77(3)4)96(159)66-98(87)161)157(118)83-23-17-80(18-24-83)71-149-51-57-155(58-52-149)107(170)34-27-90(121(187)134-43-40-108(171)156-59-53-150(54-60-156)72-81-19-25-84(26-20-81)158-117(146-148-119(158)127(193)131-8-2)88-65-86(78(5)6)97(160)67-99(88)162)139-102(165)39-42-133-122(188)91(28-35-109(172)173)143-125(191)94(31-38-112(178)179)144-124(190)93(30-37-111(176)177)141-106(169)76-197-63-62-196-61-44-135-120(186)89(142-123(189)92(29-36-110(174)175)140-101(164)14-11-12-79-15-21-82(129)22-16-79)13-9-10-41-132-103(166)68-137-105(168)70-138-104(167)69-136-100(163)33-32-95(128(194)195)154-55-49-152(74-114(182)183)47-45-151(73-113(180)181)46-48-153(50-56-154)75-115(184)185/h15-26,64-67,77-78,89-95,159-162H,7-14,27-63,68-76H2,1-6H3,(H,130,192)(H,131,193)(H,132,166)(H,133,188)(H,134,187)(H,135,186)(H,136,163)(H,137,168)(H,138,167)(H,139,165)(H,140,164)(H,141,169)(H,142,189)(H,143,191)(H,144,190)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,194,195)/t89-,90?,91-,92-,93-,94-,95-/m1/s1
• InChIKey: NGEZUXAORQTWFW-CPOZILJKSA-N
• XLogP: -1.98
• TPSA: 955.76 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 43
• Rotatable Bonds: 81
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2873.90
LogP ≤ 5	-1.98
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid?

The IUPAC name of (4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid (CID 164792636) is (4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid.

What is the SMILES notation for (4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid?

The canonical SMILES for (4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid is CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(CN2CCN(C(=O)CCNC(=O)C(CCC(=O)N3CCN(Cc4ccc(-n5c(C(=O)NCC)nnc5-c5cc(C(C)C)c(O)cc5O)cc4)CC3)NC(=O)CCNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)COCCOCCNC(=O)[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CC[C@H](C(=O)O)N3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCCc3ccc(I)cc3)CC2)cc1.

What is the InChIKey of (4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid?

The InChIKey is NGEZUXAORQTWFW-CPOZILJKSA-N. The full InChI is InChI=1S/C128H178IN29O39/c1-7-130-126(192)118-147-145-116(87-64-85(77(3)4)96(159)66-98(87)161)157(118)83-23-17-80(18-24-83)71-149-51-57-155(58-52-149)107(170)34-27-90(121(187)134-43-40-108(171)156-59-53-150(54-60-156)72-81-19-25-84(26-20-81)158-117(146-148-119(158)127(193)131-8-2)88-65-86(78(5)6)97(160)67-99(88)162)139-102(165)39-42-133-122(188)91(28-35-109(172)173)143-125(191)94(31-38-112(178)179)144-124(190)93(30-37-111(176)177)141-106(169)76-197-63-62-196-61-44-135-120(186)89(142-123(189)92(29-36-110(174)175)140-101(164)14-11-12-79-15-21-82(129)22-16-79)13-9-10-41-132-103(166)68-137-105(168)70-138-104(167)69-136-100(163)33-32-95(128(194)195)154-55-49-152(74-114(182)183)47-45-151(73-113(180)181)46-48-153(50-56-154)75-115(184)185/h15-26,64-67,77-78,89-95,159-162H,7-14,27-63,68-76H2,1-6H3,(H,130,192)(H,131,193)(H,132,166)(H,133,188)(H,134,187)(H,135,186)(H,136,163)(H,137,168)(H,138,167)(H,139,165)(H,140,164)(H,141,169)(H,142,189)(H,143,191)(H,144,190)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,194,195)/t89-,90?,91-,92-,93-,94-,95-/m1/s1.

What are the key properties of (4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid?

(4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid has a molecular weight of 2873.90 g/mol, XLogP of -1.98, 81 rotatable bonds, 27 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-[[(2R)-1-[2-[2-[2-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-[[2-[[2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-4-[4-(4-iodophenyl)butanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 164792636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).