bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one

C221H288N24O49 — CID 158914039

About bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one

bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one (PubChem CID 158914039) has the molecular formula C221H288N24O49 and a molecular weight of 4064.85 g/mol. Its IUPAC name is bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one.

Molecular Properties

• Compound Name: bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one
• PubChem CID: 158914039
• Molecular Formula: C221H288N24O49
• Molecular Weight: 4064.85 g/mol
• Exact Mass: 4062.08
• IUPAC Name: bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one
• SMILES: CNCCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4.COc1cc2c(=O)n(CCN(C)C(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCC(=O)CCCCCCCCCCCN4C5CCCC4CC(OC(=O)Cc4cc(C)ccc4CO)C5)C(C)C)cc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5.Cc1ccc(CO)c(CC(=O)OC2CC3CCCC(C2)N3CCCCCCCCCCCC(=O)CCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(CO)cc2)C(C)C)c1.Cc1ccc(CO)c(CC(=O)OC2CC3CCCC(C2)N3CCCCCCCCCCCC(=O)CCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(COC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)C(C)C)c1.O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1
• InChI: InChI=1S/C75H98N8O15.C59H82N6O13.C52H79N5O9.C22H21N3O5.C13H8N2O7/c1-47(2)70(80-68(87)29-28-56(85)21-14-12-10-8-7-9-11-13-15-31-82-54-19-16-20-55(82)38-57(37-54)98-69(88)36-52-34-48(3)22-25-51(52)44-84)63(86)35-50(18-17-30-77-74(76)91)72(89)79-53-26-23-49(24-27-53)45-95-75(92)81(4)32-33-83-71-60-41-66-67(97-46-96-66)42-62(60)78-43-61(71)58-39-64(93-5)65(94-6)40-59(58)73(83)90;1-40(2)56(53(68)34-43(15-14-31-61-58(60)72)57(71)62-46-23-20-42(21-24-46)39-76-59(73)78-51-28-25-47(26-29-51)65(74)75)63-54(69)30-27-50(67)18-11-9-7-5-4-6-8-10-12-32-64-48-16-13-17-49(64)37-52(36-48)77-55(70)35-45-33-41(3)19-22-44(45)38-66;1-36(2)50(47(61)30-39(15-14-27-54-52(53)65)51(64)55-42-23-20-38(34-58)21-24-42)56-48(62)26-25-45(60)18-11-9-7-5-4-6-8-10-12-28-57-43-16-13-17-44(57)33-46(32-43)66-49(63)31-41-29-37(3)19-22-40(41)35-59;1-23-4-5-25-21-14-8-19-20(30-11-29-19)9-16(14)24-10-15(21)12-6-17(27-2)18(28-3)7-13(12)22(25)26;16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20/h22-27,34,39-43,47,50,54-55,57,70,84H,7-21,28-33,35-38,44-46H2,1-6H3,(H,79,89)(H,80,87)(H3,76,77,91);19-26,28-29,33,40,43,48-49,52,56,66H,4-18,27,30-32,34-39H2,1-3H3,(H,62,71)(H,63,69)(H3,60,61,72);19-24,29,36,39,43-44,46,50,58-59H,4-18,25-28,30-35H2,1-3H3,(H,55,64)(H,56,62)(H3,53,54,65);6-10,23H,4-5,11H2,1-3H3;1-8H/t50-,54?,55?,57?,70+;43-,48?,49?,52?,56+;39-,43?,44?,46?,50+;;/m111../s1
• InChIKey: JGZSRSMPFZQLDA-NYPLDVCASA-N
• XLogP: 33.93
• TPSA: 997.59 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 57
• Rotatable Bonds: 111
• Heavy Atoms: 294
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4064.85
LogP ≤ 5	33.93
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one?

The IUPAC name of bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one (CID 158914039) is bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one.

What is the SMILES notation for bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one?

The canonical SMILES for bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one is CNCCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4.COc1cc2c(=O)n(CCN(C)C(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCC(=O)CCCCCCCCCCCN4C5CCCC4CC(OC(=O)Cc4cc(C)ccc4CO)C5)C(C)C)cc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5.Cc1ccc(CO)c(CC(=O)OC2CC3CCCC(C2)N3CCCCCCCCCCCC(=O)CCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(CO)cc2)C(C)C)c1.Cc1ccc(CO)c(CC(=O)OC2CC3CCCC(C2)N3CCCCCCCCCCCC(=O)CCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(COC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)C(C)C)c1.O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1.

What is the InChIKey of bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one?

The InChIKey is JGZSRSMPFZQLDA-NYPLDVCASA-N. The full InChI is InChI=1S/C75H98N8O15.C59H82N6O13.C52H79N5O9.C22H21N3O5.C13H8N2O7/c1-47(2)70(80-68(87)29-28-56(85)21-14-12-10-8-7-9-11-13-15-31-82-54-19-16-20-55(82)38-57(37-54)98-69(88)36-52-34-48(3)22-25-51(52)44-84)63(86)35-50(18-17-30-77-74(76)91)72(89)79-53-26-23-49(24-27-53)45-95-75(92)81(4)32-33-83-71-60-41-66-67(97-46-96-66)42-62(60)78-43-61(71)58-39-64(93-5)65(94-6)40-59(58)73(83)90;1-40(2)56(53(68)34-43(15-14-31-61-58(60)72)57(71)62-46-23-20-42(21-24-46)39-76-59(73)78-51-28-25-47(26-29-51)65(74)75)63-54(69)30-27-50(67)18-11-9-7-5-4-6-8-10-12-32-64-48-16-13-17-49(64)37-52(36-48)77-55(70)35-45-33-41(3)19-22-44(45)38-66;1-36(2)50(47(61)30-39(15-14-27-54-52(53)65)51(64)55-42-23-20-38(34-58)21-24-42)56-48(62)26-25-45(60)18-11-9-7-5-4-6-8-10-12-28-57-43-16-13-17-44(57)33-46(32-43)66-49(63)31-41-29-37(3)19-22-40(41)35-59;1-23-4-5-25-21-14-8-19-20(30-11-29-19)9-16(14)24-10-15(21)12-6-17(27-2)18(28-3)7-13(12)22(25)26;16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20/h22-27,34,39-43,47,50,54-55,57,70,84H,7-21,28-33,35-38,44-46H2,1-6H3,(H,79,89)(H,80,87)(H3,76,77,91);19-26,28-29,33,40,43,48-49,52,56,66H,4-18,27,30-32,34-39H2,1-3H3,(H,62,71)(H,63,69)(H3,60,61,72);19-24,29,36,39,43-44,46,50,58-59H,4-18,25-28,30-35H2,1-3H3,(H,55,64)(H,56,62)(H3,53,54,65);6-10,23H,4-5,11H2,1-3H3;1-8H/t50-,54?,55?,57?,70+;43-,48?,49?,52?,56+;39-,43?,44?,46?,50+;;/m111../s1.

What are the key properties of bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one?

bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one has a molecular weight of 4064.85 g/mol, XLogP of 33.93, 111 rotatable bonds, 17 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-nitrophenyl) carbonate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[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-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;[9-[15-[[(3S,6R)-9-(carbamoylamino)-2-methyl-6-[[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamoyl]-4-oxononan-3-yl]amino]-12,15-dioxopentadecyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-[2-(hydroxymethyl)-5-methylphenyl]acetate;16,17-dimethoxy-21-[2-(methylamino)ethyl]-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-20-one is sourced from PubChem (CID 158914039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).