[4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate

C177H248Cl2N16O42S2 — CID 163948874

About [4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate

[4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate (PubChem CID 163948874) has the molecular formula C177H248Cl2N16O42S2 and a molecular weight of 3407.04 g/mol. Its IUPAC name is [4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate.

Molecular Properties

• Compound Name: [4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate
• PubChem CID: 163948874
• Molecular Formula: C177H248Cl2N16O42S2
• Molecular Weight: 3407.04 g/mol
• Exact Mass: 3403.66
• IUPAC Name: [4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate
• SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)CC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(CC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)C(NC(=O)CCc2ccc(OC)c(OC)c2)C(C)C)cc1)C(C)C.COc1cc(CCCC(=O)C2CCC(CNC(=O)CSCCC(=O)N(C)[C@@H](C)C(=O)O[C@H]3CC(=O)N(C)c4cc(cc(OC)c4Cl)C/C(C)=C/C=C/C(OC)C4(O)CC(OC(=O)N4)C(C)C4OC43C)CC2)ccc1C=O.COc1cc(N2CCN(C(=O)CSCCC(=O)N(C)[C@@H](C)C(=O)O[C@H]3CC(=O)N(C)c4cc(cc(OC)c4Cl)C/C(C)=C/C=C/C(OC)C4(O)CC(OC(=O)N4)C(C)C4OC43C)CC2)ccc1C=O
• InChI: InChI=1S/C72H109N7O15.C56H75ClN4O14S.C49H64ClN5O13S/c1-17-46(8)66(61(92-15)41-63(84)79-36-22-26-55(79)68(93-16)48(10)56(80)37-47(9)67(85)51-23-19-18-20-24-51)77(11)70(87)54(43(2)3)40-58(82)65(45(6)7)78(12)72(89)94-42-50-27-31-53(32-28-50)75-69(86)52(25-21-35-74-71(73)88)39-57(81)64(44(4)5)76-62(83)34-30-49-29-33-59(90-13)60(38-49)91-14;1-33-12-10-15-46(72-9)56(69)29-45(73-54(68)59-56)34(2)52-55(4,75-52)47(28-50(66)61(6)41-25-38(24-33)27-44(71-8)51(41)57)74-53(67)35(3)60(5)49(65)22-23-76-32-48(64)58-30-37-17-19-39(20-18-37)42(63)14-11-13-36-16-21-40(31-62)43(26-36)70-7;1-29-11-10-12-39(65-9)49(62)26-38(66-47(61)51-49)30(2)45-48(4,68-45)40(25-42(58)53(6)35-22-32(21-29)23-37(64-8)44(35)50)67-46(60)31(3)52(5)41(57)15-20-69-28-43(59)55-18-16-54(17-19-55)34-14-13-33(27-56)36(24-34)63-7/h18-20,23-24,27-29,31-33,38,43-48,52,54-55,61,64-68,85H,17,21-22,25-26,30,34-37,39-42H2,1-16H3,(H,75,86)(H,76,83)(H3,73,74,88);10,12,15-16,21,25-27,31,34-35,37,39,45-47,52,69H,11,13-14,17-20,22-24,28-30,32H2,1-9H3,(H,58,64)(H,59,68);10-14,22-24,27,30-31,38-40,45,62H,15-21,25-26,28H2,1-9H3,(H,51,61)/b;15-10+,33-12+;12-10+,29-11+/t;34?,35-,37?,39?,45?,46?,47-,52?,55?,56?;30?,31-,38?,39?,40-,45?,48?,49?/m.00/s1
• InChIKey: RXOATUQHZIIXDW-WUZIXOCMSA-N
• XLogP: 21.29
• TPSA: 727.10 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 45
• Rotatable Bonds: 72
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3407.04
LogP ≤ 5	21.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate?

The IUPAC name of [4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate (CID 163948874) is [4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate.

What is the SMILES notation for [4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate?

The canonical SMILES for [4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate is CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)CC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(CC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)C(NC(=O)CCc2ccc(OC)c(OC)c2)C(C)C)cc1)C(C)C.COc1cc(CCCC(=O)C2CCC(CNC(=O)CSCCC(=O)N(C)[C@@H](C)C(=O)O[C@H]3CC(=O)N(C)c4cc(cc(OC)c4Cl)C/C(C)=C/C=C/C(OC)C4(O)CC(OC(=O)N4)C(C)C4OC43C)CC2)ccc1C=O.COc1cc(N2CCN(C(=O)CSCCC(=O)N(C)[C@@H](C)C(=O)O[C@H]3CC(=O)N(C)c4cc(cc(OC)c4Cl)C/C(C)=C/C=C/C(OC)C4(O)CC(OC(=O)N4)C(C)C4OC43C)CC2)ccc1C=O.

What is the InChIKey of [4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate?

The InChIKey is RXOATUQHZIIXDW-WUZIXOCMSA-N. The full InChI is InChI=1S/C72H109N7O15.C56H75ClN4O14S.C49H64ClN5O13S/c1-17-46(8)66(61(92-15)41-63(84)79-36-22-26-55(79)68(93-16)48(10)56(80)37-47(9)67(85)51-23-19-18-20-24-51)77(11)70(87)54(43(2)3)40-58(82)65(45(6)7)78(12)72(89)94-42-50-27-31-53(32-28-50)75-69(86)52(25-21-35-74-71(73)88)39-57(81)64(44(4)5)76-62(83)34-30-49-29-33-59(90-13)60(38-49)91-14;1-33-12-10-15-46(72-9)56(69)29-45(73-54(68)59-56)34(2)52-55(4,75-52)47(28-50(66)61(6)41-25-38(24-33)27-44(71-8)51(41)57)74-53(67)35(3)60(5)49(65)22-23-76-32-48(64)58-30-37-17-19-39(20-18-37)42(63)14-11-13-36-16-21-40(31-62)43(26-36)70-7;1-29-11-10-12-39(65-9)49(62)26-38(66-47(61)51-49)30(2)45-48(4,68-45)40(25-42(58)53(6)35-22-32(21-29)23-37(64-8)44(35)50)67-46(60)31(3)52(5)41(57)15-20-69-28-43(59)55-18-16-54(17-19-55)34-14-13-33(27-56)36(24-34)63-7/h18-20,23-24,27-29,31-33,38,43-48,52,54-55,61,64-68,85H,17,21-22,25-26,30,34-37,39-42H2,1-16H3,(H,75,86)(H,76,83)(H3,73,74,88);10,12,15-16,21,25-27,31,34-35,37,39,45-47,52,69H,11,13-14,17-20,22-24,28-30,32H2,1-9H3,(H,58,64)(H,59,68);10-14,22-24,27,30-31,38-40,45,62H,15-21,25-26,28H2,1-9H3,(H,51,61)/b;15-10+,33-12+;12-10+,29-11+/t;34?,35-,37?,39?,45?,46?,47-,52?,55?,56?;30?,31-,38?,39?,40-,45?,48?,49?/m.00/s1.

What are the key properties of [4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate?

[4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate has a molecular weight of 3407.04 g/mol, XLogP of 21.29, 72 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-[3-(carbamoylamino)propyl]-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[6-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[[4-[4-(4-formyl-3-methoxyphenyl)butanoyl]cyclohexyl]methylamino]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate;[(6S,16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[2-[4-(4-formyl-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoyl-methylamino]propanoate is sourced from PubChem (CID 163948874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).