azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane

C184H263Cl3N18O43S5 — CID 159559824

About azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane

azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane (PubChem CID 159559824) has the molecular formula C184H263Cl3N18O43S5 and a molecular weight of 3681.90 g/mol. Its IUPAC name is azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane.

Molecular Properties

• Compound Name: azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane
• PubChem CID: 159559824
• Molecular Formula: C184H263Cl3N18O43S5
• Molecular Weight: 3681.90 g/mol
• Exact Mass: 3677.66
• IUPAC Name: azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane
• SMILES: COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)Nc1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCCCC(=O)C3CCC3)C(C)C)cc1)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(CC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2.COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)Nc1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCCCC(=O)C3CCC3)C(C)C)cc1C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(CC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2.COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)Nc1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=S)NCCOCCOCCC(C)=O)C(C)C)c3ncccc13)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(CC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2.N.S.S.S.S
• InChI: InChI=1S/C62H86ClN5O14.C61H82ClN7O15S.C61H84ClN5O14.H3N.4H2S/c1-36(2)44(32-43(69)20-12-10-11-13-22-48(70)42-18-15-19-42)58(74)66-46(21-16-26-65-59(64)75)49(71)30-40-24-25-45(38(4)28-40)67-60(76)81-53-33-54(72)68(7)47-29-41(31-50(78-8)56(47)63)27-37(3)17-14-23-52(79-9)62(77)34-51(80-55(73)35-62)39(5)57-61(53,6)82-57;1-35(2)42(31-51(85)64-22-24-81-26-25-80-23-19-37(4)70)57(74)67-44(15-12-21-66-58(63)75)46(71)30-40-17-18-43(41-14-11-20-65-55(40)41)68-59(76)83-50-32-52(72)69(7)45-28-39(29-47(78-8)54(45)62)27-36(3)13-10-16-49(79-9)61(77)33-48(82-53(73)34-61)38(5)56-60(50,6)84-56;1-36(2)44(32-43(68)19-11-9-10-12-21-47(69)41-17-14-18-41)57(73)66-45(20-15-27-64-58(63)74)48(70)30-39-23-25-42(26-24-39)65-59(75)80-52-33-53(71)67(6)46-29-40(31-49(77-7)55(46)62)28-37(3)16-13-22-51(78-8)61(76)34-50(79-54(72)35-61)38(4)56-60(52,5)81-56;;;;;/h14,17,23-25,28-29,31,36,39,42,44,46,51-53,57,77H,10-13,15-16,18-22,26-27,30,32-35H2,1-9H3,(H,66,74)(H,67,76)(H3,64,65,75);10-11,13-14,16-18,20,28-29,35,38,42,44,48-50,56,77H,12,15,19,21-27,30-34H2,1-9H3,(H,64,85)(H,67,74)(H,68,76)(H3,63,66,75);13,16,22-26,29,31,36,38,41,44-45,50-52,56,76H,9-12,14-15,17-21,27-28,30,32-35H2,1-8H3,(H,65,75)(H,66,73)(H3,63,64,74);1H3;4*1H2/b23-14+,37-17+;16-10+,36-13+;22-13+,37-16+;;;;;/t39-,44+,46+,51+,52-,53+,57+,61+,62-;38-,42+,44+,48+,49-,50+,56+,60+,61-;38-,44+,45+,50+,51-,52+,56+,60+,61-;;;;;/m111...../s1
• InChIKey: HGIXOAGDGNGACF-HCAVUDKZSA-N
• XLogP: 24.95
• TPSA: 876.08 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 46
• Rotatable Bonds: 73
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3681.90
LogP ≤ 5	24.95
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane?

The IUPAC name of azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane (CID 159559824) is azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane.

What is the SMILES notation for azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane?

The canonical SMILES for azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane is COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)Nc1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCCCC(=O)C3CCC3)C(C)C)cc1)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(CC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2.COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)Nc1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCCCC(=O)C3CCC3)C(C)C)cc1C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(CC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2.COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)Nc1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=S)NCCOCCOCCC(C)=O)C(C)C)c3ncccc13)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(CC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2.N.S.S.S.S.

What is the InChIKey of azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane?

The InChIKey is HGIXOAGDGNGACF-HCAVUDKZSA-N. The full InChI is InChI=1S/C62H86ClN5O14.C61H82ClN7O15S.C61H84ClN5O14.H3N.4H2S/c1-36(2)44(32-43(69)20-12-10-11-13-22-48(70)42-18-15-19-42)58(74)66-46(21-16-26-65-59(64)75)49(71)30-40-24-25-45(38(4)28-40)67-60(76)81-53-33-54(72)68(7)47-29-41(31-50(78-8)56(47)63)27-37(3)17-14-23-52(79-9)62(77)34-51(80-55(73)35-62)39(5)57-61(53,6)82-57;1-35(2)42(31-51(85)64-22-24-81-26-25-80-23-19-37(4)70)57(74)67-44(15-12-21-66-58(63)75)46(71)30-40-17-18-43(41-14-11-20-65-55(40)41)68-59(76)83-50-32-52(72)69(7)45-28-39(29-47(78-8)54(45)62)27-36(3)13-10-16-49(79-9)61(77)33-48(82-53(73)34-61)38(5)56-60(50,6)84-56;1-36(2)44(32-43(68)19-11-9-10-12-21-47(69)41-17-14-18-41)57(73)66-45(20-15-27-64-58(63)74)48(70)30-39-23-25-42(26-24-39)65-59(75)80-52-33-53(71)67(6)46-29-40(31-49(77-7)55(46)62)28-37(3)16-13-22-51(78-8)61(76)34-50(79-54(72)35-61)38(4)56-60(52,5)81-56;;;;;/h14,17,23-25,28-29,31,36,39,42,44,46,51-53,57,77H,10-13,15-16,18-22,26-27,30,32-35H2,1-9H3,(H,66,74)(H,67,76)(H3,64,65,75);10-11,13-14,16-18,20,28-29,35,38,42,44,48-50,56,77H,12,15,19,21-27,30-34H2,1-9H3,(H,64,85)(H,67,74)(H,68,76)(H3,63,66,75);13,16,22-26,29,31,36,38,41,44-45,50-52,56,76H,9-12,14-15,17-21,27-28,30,32-35H2,1-8H3,(H,65,75)(H,66,73)(H3,63,64,74);1H3;4*1H2/b23-14+,37-17+;16-10+,36-13+;22-13+,37-16+;;;;;/t39-,44+,46+,51+,52-,53+,57+,61+,62-;38-,42+,44+,48+,49-,50+,56+,60+,61-;38-,44+,45+,50+,51-,52+,56+,60+,61-;;;;;/m111...../s1.

What are the key properties of azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane?

azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane has a molecular weight of 3681.90 g/mol, XLogP of 24.95, 73 rotatable bonds, 17 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane is sourced from PubChem (CID 159559824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).