(2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane

C243H310N34O67S10 — CID 157471518

About (2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane

(2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane (PubChem CID 157471518) has the molecular formula C243H310N34O67S10 and a molecular weight of 5099.99 g/mol. Its IUPAC name is (2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane.

Molecular Properties

• Compound Name: (2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane
• PubChem CID: 157471518
• Molecular Formula: C243H310N34O67S10
• Molecular Weight: 5099.99 g/mol
• Exact Mass: 5095.91
• IUPAC Name: (2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane
• SMILES: C.C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)OCCSSCCC(=O)C[C@@H](C)C(=O)NC)C(=O)O)cc1.C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)OCCSSCCC(=O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)C[C@@H](C)C(=O)NCCN)C(=O)O)cc1.CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](COC=O)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)NNC(=O)OCCSSCCC(C)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](COC=O)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(C(=O)NNC(=O)OCCSSCCC(=O)NCCNC(=O)[C@H](C)CC(=O)C(C)C)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](COC=O)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(C(=O)NNC(=O)OCCSSCCC(=O)O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C59H82N8O12S2.C50H66N6O10S2.C49H64N6O11S2.C42H54N8O10S2.C34H40N6O8S2.8CO2.CH4/c1-8-55(75)30-38-31-57(34-78-35-68,48-40(15-22-66(32-38)33-55)39-13-10-11-14-43(39)62-48)42-28-41-44(29-46(42)77-7)65(6)51-58(41)18-23-67-21-12-17-56(9-2,50(58)67)52(72)59(51,76)53(73)63-64-54(74)79-24-26-81-80-25-16-47(70)60-19-20-61-49(71)37(5)27-45(69)36(3)4;1-6-46(62)25-32-26-48(29-65-30-57,40-34(13-18-55(27-32)28-46)33-11-8-9-12-37(33)51-40)36-23-35-38(24-39(36)64-5)54(4)42-49(35)16-19-56-17-10-15-47(7-2,41(49)56)43(59)50(42,63)44(60)52-53-45(61)66-20-22-68-67-21-14-31(3)58;1-5-45(62)24-30-25-47(28-65-29-56,39-32(12-17-54(26-30)27-45)31-10-7-8-11-35(31)50-39)34-22-33-36(23-37(34)64-4)53(3)41-48(33)15-18-55-16-9-14-46(6-2,40(48)55)42(59)49(41,63)43(60)51-52-44(61)66-19-21-68-67-20-13-38(57)58;1-5-17-50(24-28-6-11-33-32(23-28)40(57)49-42(44)48-33)30-9-7-29(8-10-30)39(56)47-34(41(58)59)12-13-36(53)60-18-20-62-61-19-14-31(51)21-25(2)38(55)46-27(4)35(52)22-26(3)37(54)45-16-15-43;1-4-14-40(20-22-5-10-27-26(19-22)32(45)39-34(35)38-27)24-8-6-23(7-9-24)31(44)37-28(33(46)47)11-12-29(42)48-15-17-50-49-16-13-25(41)18-21(2)30(43)36-3;8*2-1-3;/h10-14,17,28-29,35-38,50-52,62,72,75-76H,8-9,15-16,18-27,30-34H2,1-7H3,(H,60,70)(H,61,71)(H,63,73)(H,64,74);8-12,15,23-24,30,32,41-43,51,59,62-63H,6-7,13-14,16-22,25-29H2,1-5H3,(H,52,60)(H,53,61);7-11,14,22-23,29-30,40-42,50,59,62-63H,5-6,12-13,15-21,24-28H2,1-4H3,(H,51,60)(H,52,61)(H,57,58);1,6-11,23,25-27,34H,12-22,24,43H2,2-4H3,(H,45,54)(H,46,55)(H,47,56)(H,58,59)(H3,44,48,49,57);1,5-10,19,21,28H,11-18,20H2,2-3H3,(H,36,43)(H,37,44)(H,46,47)(H3,35,38,39,45);;;;;;;;;1H4/t37-,38?,50+,51-,52-,55+,56-,57+,58-,59-;32?,41-,42+,43+,46-,47+,48-,49+,50-;30?,40-,41+,42+,45-,46+,47-,48+,49+;25-,26-,27+,34+;21-,28+;;;;;;;;;/m10011........./s1
• InChIKey: BVCAQTGCMDNGNF-MGOMYXAISA-N
• XLogP: 13.41
• TPSA: 1470.19 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 90
• Rotatable Bonds: 99
• Heavy Atoms: 354
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5099.99
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	90

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane?

The IUPAC name of (2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane (CID 157471518) is (2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane.

What is the SMILES notation for (2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane?

The canonical SMILES for (2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane is C.C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)OCCSSCCC(=O)C[C@@H](C)C(=O)NC)C(=O)O)cc1.C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)OCCSSCCC(=O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)C[C@@H](C)C(=O)NCCN)C(=O)O)cc1.CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](COC=O)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)NNC(=O)OCCSSCCC(C)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](COC=O)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(C(=O)NNC(=O)OCCSSCCC(=O)NCCNC(=O)[C@H](C)CC(=O)C(C)C)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](COC=O)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(C(=O)NNC(=O)OCCSSCCC(=O)O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of (2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane?

The InChIKey is BVCAQTGCMDNGNF-MGOMYXAISA-N. The full InChI is InChI=1S/C59H82N8O12S2.C50H66N6O10S2.C49H64N6O11S2.C42H54N8O10S2.C34H40N6O8S2.8CO2.CH4/c1-8-55(75)30-38-31-57(34-78-35-68,48-40(15-22-66(32-38)33-55)39-13-10-11-14-43(39)62-48)42-28-41-44(29-46(42)77-7)65(6)51-58(41)18-23-67-21-12-17-56(9-2,50(58)67)52(72)59(51,76)53(73)63-64-54(74)79-24-26-81-80-25-16-47(70)60-19-20-61-49(71)37(5)27-45(69)36(3)4;1-6-46(62)25-32-26-48(29-65-30-57,40-34(13-18-55(27-32)28-46)33-11-8-9-12-37(33)51-40)36-23-35-38(24-39(36)64-5)54(4)42-49(35)16-19-56-17-10-15-47(7-2,41(49)56)43(59)50(42,63)44(60)52-53-45(61)66-20-22-68-67-21-14-31(3)58;1-5-45(62)24-30-25-47(28-65-29-56,39-32(12-17-54(26-30)27-45)31-10-7-8-11-35(31)50-39)34-22-33-36(23-37(34)64-4)53(3)41-48(33)15-18-55-16-9-14-46(6-2,40(48)55)42(59)49(41,63)43(60)51-52-44(61)66-19-21-68-67-20-13-38(57)58;1-5-17-50(24-28-6-11-33-32(23-28)40(57)49-42(44)48-33)30-9-7-29(8-10-30)39(56)47-34(41(58)59)12-13-36(53)60-18-20-62-61-19-14-31(51)21-25(2)38(55)46-27(4)35(52)22-26(3)37(54)45-16-15-43;1-4-14-40(20-22-5-10-27-26(19-22)32(45)39-34(35)38-27)24-8-6-23(7-9-24)31(44)37-28(33(46)47)11-12-29(42)48-15-17-50-49-16-13-25(41)18-21(2)30(43)36-3;8*2-1-3;/h10-14,17,28-29,35-38,50-52,62,72,75-76H,8-9,15-16,18-27,30-34H2,1-7H3,(H,60,70)(H,61,71)(H,63,73)(H,64,74);8-12,15,23-24,30,32,41-43,51,59,62-63H,6-7,13-14,16-22,25-29H2,1-5H3,(H,52,60)(H,53,61);7-11,14,22-23,29-30,40-42,50,59,62-63H,5-6,12-13,15-21,24-28H2,1-4H3,(H,51,60)(H,52,61)(H,57,58);1,6-11,23,25-27,34H,12-22,24,43H2,2-4H3,(H,45,54)(H,46,55)(H,47,56)(H,58,59)(H3,44,48,49,57);1,5-10,19,21,28H,11-18,20H2,2-3H3,(H,36,43)(H,37,44)(H,46,47)(H3,35,38,39,45);;;;;;;;;1H4/t37-,38?,50+,51-,52-,55+,56-,57+,58-,59-;32?,41-,42+,43+,46-,47+,48-,49+,50-;30?,40-,41+,42+,45-,46+,47-,48+,49+;25-,26-,27+,34+;21-,28+;;;;;;;;;/m10011........./s1.

What are the key properties of (2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane?

(2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane has a molecular weight of 5099.99 g/mol, XLogP of 13.41, 99 rotatable bonds, 33 hydrogen bond donors, and 90 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-5-[2-[[(5R)-6-[[(2S,5R)-6-(2-aminoethylamino)-5-methyl-3,6-dioxohexan-2-yl]amino]-5-methyl-3,6-dioxohexyl]disulfanyl]ethoxy]-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid;(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[2-[[(5R)-5-methyl-6-(methylamino)-3,6-dioxohexyl]disulfanyl]ethoxy]-5-oxopentanoic acid;octakis(carbon dioxide);[(13S,17S)-13-[(1R,9R,10R,11R,12R,19R)-10-[[2-[[3-[2-[[(2R)-2,5-dimethyl-4-oxohexanoyl]amino]ethylamino]-3-oxopropyl]disulfanyl]ethoxycarbonylamino]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;[(13S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-10-[[2-(3-oxobutyldisulfanyl)ethoxycarbonylamino]carbamoyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]methyl formate;3-[2-[[[(1R,9R,10R,11R,12R,19R)-12-ethyl-4-[(13S,17S)-17-ethyl-13-(formyloxymethyl)-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]propanoic acid;methane is sourced from PubChem (CID 157471518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).