[(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide

C124H154N24O32S3 — CID 176537614

About [(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide

[(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide (PubChem CID 176537614) has the molecular formula C124H154N24O32S3 and a molecular weight of 2588.93 g/mol. Its IUPAC name is [(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide.

Molecular Properties

• Compound Name: [(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide
• PubChem CID: 176537614
• Molecular Formula: C124H154N24O32S3
• Molecular Weight: 2588.93 g/mol
• Exact Mass: 2587.03
• IUPAC Name: [(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide
• SMILES: CC(=O)[C@H](C)NC(=O)[C@H](C)CC(=O)CCCNC(=O)c1ccc(NCc2cnc3nc(C)[nH]c(=O)c3n2)cc1.CC[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)C[C@@H](CNC(=O)CCSSCCNC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(C)[C@H]3N[C@H]3CN21)C(=O)NCCSC1CC(=O)N(c2ccc(/C(C)=N\NC(=O)[C@@]3(O)[C@H](O)[C@]4(CC)C=CCN5CC[C@@]6(c7cc([C@@]8(COC=O)C[C@@H]9CN(CCc%10c8[nH]c8ccccc%108)C[C@](O)(CC)C9)c(OC)cc7N(C)[C@@H]36)[C@@H]54)cc2)C1=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C92H121N17O17S3.C27H33N7O5.5CO2/c1-10-54(17-15-28-98-85(93)94)79(117)100-52(6)66(111)37-56(43-99-69(112)25-34-128-129-36-30-96-72-50(4)74(114)73-71(75(72)115)62(46-126-86(95)121)87(7)77-64(102-77)45-108(73)87)78(116)97-29-35-127-68-40-70(113)109(80(68)118)57-22-20-55(21-23-57)51(5)103-104-84(120)92(123)82-91(27-33-107-31-16-26-89(12-3,81(91)107)83(92)119)60-38-61(67(124-9)39-65(60)105(82)8)90(48-125-49-110)42-53-41-88(122,11-2)47-106(44-53)32-24-59-58-18-13-14-19-63(58)101-76(59)90;1-15(25(37)31-16(2)17(3)35)12-22(36)6-5-11-28-26(38)19-7-9-20(10-8-19)29-13-21-14-30-24-23(34-21)27(39)33-18(4)32-24;5*2-1-3/h13-14,16,18-23,26,38-39,49,52-54,56,62,64,68,77,81-83,96,101-102,119,122-123H,10-12,15,17,24-25,27-37,40-48H2,1-9H3,(H2,95,121)(H,97,116)(H,99,112)(H,100,117)(H,104,120)(H4,93,94,98);7-10,14-16,29H,5-6,11-13H2,1-4H3,(H,28,38)(H,31,37)(H,30,32,33,39);;;;;/b103-51-;;;;;;/t52-,53+,54-,56-,62+,64-,68?,77-,81-,82+,83+,87-,88-,89+,90-,91+,92-;15-,16+;;;;;/m01...../s1
• InChIKey: ZYDLRBUMWSVMLW-UXABOUARSA-N
• XLogP: 2.64
• TPSA: 839.61 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 47
• Rotatable Bonds: 51
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2588.93
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide?

The IUPAC name of [(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide (CID 176537614) is [(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide.

What is the SMILES notation for [(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide?

The canonical SMILES for [(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide is CC(=O)[C@H](C)NC(=O)[C@H](C)CC(=O)CCCNC(=O)c1ccc(NCc2cnc3nc(C)[nH]c(=O)c3n2)cc1.CC[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)C[C@@H](CNC(=O)CCSSCCNC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(C)[C@H]3N[C@H]3CN21)C(=O)NCCSC1CC(=O)N(c2ccc(/C(C)=N\NC(=O)[C@@]3(O)[C@H](O)[C@]4(CC)C=CCN5CC[C@@]6(c7cc([C@@]8(COC=O)C[C@@H]9CN(CCc%10c8[nH]c8ccccc%108)C[C@](O)(CC)C9)c(OC)cc7N(C)[C@@H]36)[C@@H]54)cc2)C1=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of [(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide?

The InChIKey is ZYDLRBUMWSVMLW-UXABOUARSA-N. The full InChI is InChI=1S/C92H121N17O17S3.C27H33N7O5.5CO2/c1-10-54(17-15-28-98-85(93)94)79(117)100-52(6)66(111)37-56(43-99-69(112)25-34-128-129-36-30-96-72-50(4)74(114)73-71(75(72)115)62(46-126-86(95)121)87(7)77-64(102-77)45-108(73)87)78(116)97-29-35-127-68-40-70(113)109(80(68)118)57-22-20-55(21-23-57)51(5)103-104-84(120)92(123)82-91(27-33-107-31-16-26-89(12-3,81(91)107)83(92)119)60-38-61(67(124-9)39-65(60)105(82)8)90(48-125-49-110)42-53-41-88(122,11-2)47-106(44-53)32-24-59-58-18-13-14-19-63(58)101-76(59)90;1-15(25(37)31-16(2)17(3)35)12-22(36)6-5-11-28-26(38)19-7-9-20(10-8-19)29-13-21-14-30-24-23(34-21)27(39)33-18(4)32-24;5*2-1-3/h13-14,16,18-23,26,38-39,49,52-54,56,62,64,68,77,81-83,96,101-102,119,122-123H,10-12,15,17,24-25,27-37,40-48H2,1-9H3,(H2,95,121)(H,97,116)(H,99,112)(H,100,117)(H,104,120)(H4,93,94,98);7-10,14-16,29H,5-6,11-13H2,1-4H3,(H,28,38)(H,31,37)(H,30,32,33,39);;;;;/b103-51-;;;;;;/t52-,53+,54-,56-,62+,64-,68?,77-,81-,82+,83+,87-,88-,89+,90-,91+,92-;15-,16+;;;;;/m01...../s1.

What are the key properties of [(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide?

[(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide has a molecular weight of 2588.93 g/mol, XLogP of 2.64, 51 rotatable bonds, 17 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for [(13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(Z)-1-[4-[3-[2-[[(2S,5S)-2-[[3-[2-[[(4S,6S,7S,8R)-8-(carbamoyloxymethyl)-7,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]propanoylamino]methyl]-5-[[(2S)-5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxohexanoyl]amino]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]ethylideneamino]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;pentakis(carbon dioxide);N-[(6R)-6-methyl-4,7-dioxo-7-[[(2S)-3-oxobutan-2-yl]amino]heptyl]-4-[(2-methyl-4-oxo-3H-pteridin-6-yl)methylamino]benzamide is sourced from PubChem (CID 176537614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).