[4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate

C195H225N25O46 — CID 158090626

About [4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate

[4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate (PubChem CID 158090626) has the molecular formula C195H225N25O46 and a molecular weight of 3655.07 g/mol. Its IUPAC name is [4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: [4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate
• PubChem CID: 158090626
• Molecular Formula: C195H225N25O46
• Molecular Weight: 3655.07 g/mol
• Exact Mass: 3652.60
• IUPAC Name: [4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate
• SMILES: COc1cc2c(=O)n(CCN(C)C(=O)C3CCC(CN4C(=O)CC(C)C4=O)CC3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5.COc1cc2c(=O)n(CCN(C)C(=O)OCc3ccc(NC(=O)[C@@H](CC(=O)[C@H](CO)NC(=O)CCCCCN4C(=O)CC(C)C4=O)CC(C)C)cc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5.COc1cc2c(=O)n(CCN(C)C(=O)OCc3ccc(NC(=O)[C@H](CCCN)CC(=O)[C@H](Cc4ccccc4)NC(=O)CCCCCN4C(=O)CC(C)C4=O)cc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5.COc1cc2c(=O)n(CCN(C)C(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCCCCN4C(=O)CC(C)C4=O)C(C)C)cc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5
• InChI: InChI=1S/C56H63N7O12.C53H64N8O13.C51H60N6O13.C35H38N4O8/c1-34-24-51(66)62(54(34)68)21-10-6-9-15-50(65)60-44(25-35-12-7-5-8-13-35)45(64)26-37(14-11-20-57)53(67)59-38-18-16-36(17-19-38)32-73-56(70)61(2)22-23-63-52-41-29-48-49(75-33-74-48)30-43(41)58-31-42(52)39-27-46(71-3)47(72-4)28-40(39)55(63)69;1-30(2)47(58-45(63)12-8-7-9-18-60-46(64)21-31(3)50(60)66)40(62)22-33(11-10-17-55-52(54)68)49(65)57-34-15-13-32(14-16-34)28-72-53(69)59(4)19-20-61-48-37-25-43-44(74-29-73-43)26-39(37)56-27-38(48)35-23-41(70-5)42(71-6)24-36(35)51(61)67;1-29(2)18-32(20-40(59)39(26-58)54-45(60)10-8-7-9-15-56-46(61)19-30(3)49(56)63)48(62)53-33-13-11-31(12-14-33)27-68-51(65)55(4)16-17-57-47-36-23-43-44(70-28-69-43)24-38(36)52-25-37(47)34-21-41(66-5)42(67-6)22-35(34)50(57)64;1-19-11-31(40)39(33(19)41)17-20-5-7-21(8-6-20)34(42)37(2)9-10-38-32-24-14-29-30(47-18-46-29)15-26(24)36-16-25(32)22-12-27(44-3)28(45-4)13-23(22)35(38)43/h5,7-8,12-13,16-19,27-31,34,37,44H,6,9-11,14-15,20-26,32-33,57H2,1-4H3,(H,59,67)(H,60,65);13-16,23-27,30-31,33,47H,7-12,17-22,28-29H2,1-6H3,(H,57,65)(H,58,63)(H3,54,55,68);11-14,21-25,29-30,32,39,58H,7-10,15-20,26-28H2,1-6H3,(H,53,62)(H,54,60);12-16,19-21H,5-11,17-18H2,1-4H3/t34?,37-,44+;31?,33-,47+;30?,32-,39+;/m111./s1
• InChIKey: FOBDQLXOMYSTAQ-YDXLEIINSA-N
• XLogP: 22.25
• TPSA: 872.87 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 55
• Rotatable Bonds: 78
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3655.07
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate?

The IUPAC name of [4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate (CID 158090626) is [4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate.

What is the SMILES notation for [4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate?

The canonical SMILES for [4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate is COc1cc2c(=O)n(CCN(C)C(=O)C3CCC(CN4C(=O)CC(C)C4=O)CC3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5.COc1cc2c(=O)n(CCN(C)C(=O)OCc3ccc(NC(=O)[C@@H](CC(=O)[C@H](CO)NC(=O)CCCCCN4C(=O)CC(C)C4=O)CC(C)C)cc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5.COc1cc2c(=O)n(CCN(C)C(=O)OCc3ccc(NC(=O)[C@H](CCCN)CC(=O)[C@H](Cc4ccccc4)NC(=O)CCCCCN4C(=O)CC(C)C4=O)cc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5.COc1cc2c(=O)n(CCN(C)C(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCCCCN4C(=O)CC(C)C4=O)C(C)C)cc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5.

What is the InChIKey of [4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate?

The InChIKey is FOBDQLXOMYSTAQ-YDXLEIINSA-N. The full InChI is InChI=1S/C56H63N7O12.C53H64N8O13.C51H60N6O13.C35H38N4O8/c1-34-24-51(66)62(54(34)68)21-10-6-9-15-50(65)60-44(25-35-12-7-5-8-13-35)45(64)26-37(14-11-20-57)53(67)59-38-18-16-36(17-19-38)32-73-56(70)61(2)22-23-63-52-41-29-48-49(75-33-74-48)30-43(41)58-31-42(52)39-27-46(71-3)47(72-4)28-40(39)55(63)69;1-30(2)47(58-45(63)12-8-7-9-18-60-46(64)21-31(3)50(60)66)40(62)22-33(11-10-17-55-52(54)68)49(65)57-34-15-13-32(14-16-34)28-72-53(69)59(4)19-20-61-48-37-25-43-44(74-29-73-43)26-39(37)56-27-38(48)35-23-41(70-5)42(71-6)24-36(35)51(61)67;1-29(2)18-32(20-40(59)39(26-58)54-45(60)10-8-7-9-15-56-46(61)19-30(3)49(56)63)48(62)53-33-13-11-31(12-14-33)27-68-51(65)55(4)16-17-57-47-36-23-43-44(70-28-69-43)24-38(36)52-25-37(47)34-21-41(66-5)42(67-6)22-35(34)50(57)64;1-19-11-31(40)39(33(19)41)17-20-5-7-21(8-6-20)34(42)37(2)9-10-38-32-24-14-29-30(47-18-46-29)15-26(24)36-16-25(32)22-12-27(44-3)28(45-4)13-23(22)35(38)43/h5,7-8,12-13,16-19,27-31,34,37,44H,6,9-11,14-15,20-26,32-33,57H2,1-4H3,(H,59,67)(H,60,65);13-16,23-27,30-31,33,47H,7-12,17-22,28-29H2,1-6H3,(H,57,65)(H,58,63)(H3,54,55,68);11-14,21-25,29-30,32,39,58H,7-10,15-20,26-28H2,1-6H3,(H,53,62)(H,54,60);12-16,19-21H,5-11,17-18H2,1-4H3/t34?,37-,44+;31?,33-,47+;30?,32-,39+;/m111./s1.

What are the key properties of [4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate?

[4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate has a molecular weight of 3655.07 g/mol, XLogP of 22.25, 78 rotatable bonds, 10 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(2R,5S)-2-(3-aminopropyl)-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxo-6-phenylhexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate;N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide;[4-[[(2R,5S)-6-hydroxy-5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-2-(2-methylpropyl)-4-oxohexanoyl]amino]phenyl]methyl N-[2-(16,17-dimethoxy-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-yl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 158090626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).