methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate

C129H177N29O28 — CID 59054789

About methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate

methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate (PubChem CID 59054789) has the molecular formula C129H177N29O28 and a molecular weight of 2582.01 g/mol. Its IUPAC name is methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate.

Molecular Properties

• Compound Name: methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate
• PubChem CID: 59054789
• Molecular Formula: C129H177N29O28
• Molecular Weight: 2582.01 g/mol
• Exact Mass: 2580.33
• IUPAC Name: methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate
• SMILES: CCC[C@H](NC(=O)CN1CCN(CC)CCN(CC)CCN(CC)CC1)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCN1Cc2cc(C(=O)N(C)Cc3nc4ccccc4[nH]3)ccc2N[C@H](CC(=O)OC)C1=O)C(=O)OC)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)NCCCN1Cc2cc(C(=O)N(C)Cc3nc4ccccc4[nH]3)ccc2N[C@H](CC(=O)OC)C1=O)C(=O)OC)C(=O)N[C@@H](CCC(=O)NCCCN1Cc2cc(C(=O)N(C)Cc3nc4ccccc4[nH]3)ccc2N[C@H](CC(=O)OC)C1=O)C(=O)OC
• InChI: InChI=1S/C129H177N29O28/c1-15-29-95(142-113(164)79-155-65-63-153(18-4)61-59-152(17-3)60-62-154(19-5)64-66-155)117(168)145-96(30-16-2)118(169)146-97(43-51-111(162)143-99(127(178)184-12)45-48-108(159)130-53-26-56-156-73-83-67-80(37-40-86(83)133-102(124(156)175)70-114(165)181-9)121(172)149(6)76-105-136-89-31-20-21-32-90(89)137-105)119(170)147-98(120(171)148-101(129(180)186-14)47-50-110(161)132-55-28-58-158-75-85-69-82(39-42-88(85)135-104(126(158)177)72-116(167)183-11)123(174)151(8)78-107-140-93-35-24-25-36-94(93)141-107)44-52-112(163)144-100(128(179)185-13)46-49-109(160)131-54-27-57-157-74-84-68-81(38-41-87(84)134-103(125(157)176)71-115(166)182-10)122(173)150(7)77-106-138-91-33-22-23-34-92(91)139-106/h20-25,31-42,67-69,95-104,133-135H,15-19,26-30,43-66,70-79H2,1-14H3,(H,130,159)(H,131,160)(H,132,161)(H,136,137)(H,138,139)(H,140,141)(H,142,164)(H,143,162)(H,144,163)(H,145,168)(H,146,169)(H,147,170)(H,148,171)/t95-,96-,97-,98-,99-,100+,101-,102+,103+,104+/m0/s1
• InChIKey: NSZSKSSCBGFGNY-UJKJFDDUSA-N
• XLogP: 3.80
• TPSA: 705.75 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 38
• Rotatable Bonds: 65
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2582.01
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate?

The IUPAC name of methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate (CID 59054789) is methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate.

What is the SMILES notation for methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate?

The canonical SMILES for methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate is CCC[C@H](NC(=O)CN1CCN(CC)CCN(CC)CCN(CC)CC1)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCN1Cc2cc(C(=O)N(C)Cc3nc4ccccc4[nH]3)ccc2N[C@H](CC(=O)OC)C1=O)C(=O)OC)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)NCCCN1Cc2cc(C(=O)N(C)Cc3nc4ccccc4[nH]3)ccc2N[C@H](CC(=O)OC)C1=O)C(=O)OC)C(=O)N[C@@H](CCC(=O)NCCCN1Cc2cc(C(=O)N(C)Cc3nc4ccccc4[nH]3)ccc2N[C@H](CC(=O)OC)C1=O)C(=O)OC.

What is the InChIKey of methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate?

The InChIKey is NSZSKSSCBGFGNY-UJKJFDDUSA-N. The full InChI is InChI=1S/C129H177N29O28/c1-15-29-95(142-113(164)79-155-65-63-153(18-4)61-59-152(17-3)60-62-154(19-5)64-66-155)117(168)145-96(30-16-2)118(169)146-97(43-51-111(162)143-99(127(178)184-12)45-48-108(159)130-53-26-56-156-73-83-67-80(37-40-86(83)133-102(124(156)175)70-114(165)181-9)121(172)149(6)76-105-136-89-31-20-21-32-90(89)137-105)119(170)147-98(120(171)148-101(129(180)186-14)47-50-110(161)132-55-28-58-158-75-85-69-82(39-42-88(85)135-104(126(158)177)72-116(167)183-11)123(174)151(8)78-107-140-93-35-24-25-36-94(93)141-107)44-52-112(163)144-100(128(179)185-13)46-49-109(160)131-54-27-57-157-74-84-68-81(38-41-87(84)134-103(125(157)176)71-115(166)182-10)122(173)150(7)77-106-138-91-33-22-23-34-92(91)139-106/h20-25,31-42,67-69,95-104,133-135H,15-19,26-30,43-66,70-79H2,1-14H3,(H,130,159)(H,131,160)(H,132,161)(H,136,137)(H,138,139)(H,140,141)(H,142,164)(H,143,162)(H,144,163)(H,145,168)(H,146,169)(H,147,170)(H,148,171)/t95-,96-,97-,98-,99-,100+,101-,102+,103+,104+/m0/s1.

What are the key properties of methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate?

methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate has a molecular weight of 2582.01 g/mol, XLogP of 3.80, 65 rotatable bonds, 16 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-2-[[(4S)-5-[[(2S)-1-[[(2S)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-[[(2R)-5-[3-[(2R)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate is sourced from PubChem (CID 59054789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).