(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane

C197H289N20O41S3+3 — CID 158494430

IUPAC(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane
SMILESC.C.C.CC.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCC[N+]1(C)Cc1ccc(CC(=O)[C@H](CCC(=O)O)NC(=O)C(CC(=O)[C@H](CN)N2C(=O)C=CC2=O)C(C)C)cc1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCC[N+]1(C)Cc1ccc(CC(=O)[C@H](CCC(=O)O)NC(=O)C(CC(=O)[C@H](CNC(=O)OC(C)(C)C)N2C(=O)C=CC2=O)C(C)C)cc1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCC[N+]1(C)Cc1ccc(CC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)C(C)C)cc1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C
InChIInChI=1S/C70H97N7O16S.C65H89N7O14S.C57H82N6O11S.C2H6.3CH4/c1-14-43(6)51(67(88)75(12)54(42(4)5)37-60(92-45(8)78)66-74-53(40-94-66)65(87)72-49(32-44(7)68(89)90)33-46-20-16-15-17-21-46)36-59(81)56-22-18-19-31-77(56,13)39-48-25-23-47(24-26-48)34-57(79)52(27-30-63(84)85)73-64(86)50(41(2)3)35-58(80)55(76-61(82)28-29-62(76)83)38-71-69(91)93-70(9,10)11;1-11-40(6)48(64(83)70(9)51(39(4)5)34-57(86-42(8)73)63-69-50(37-87-63)62(82)67-46(29-41(7)65(84)85)30-43-17-13-12-14-18-43)33-56(76)53-19-15-16-28-72(53,10)36-45-22-20-44(21-23-45)31-54(74)49(24-27-60(79)80)68-61(81)47(38(2)3)32-55(75)52(35-66)71-58(77)25-26-59(71)78;1-11-36(6)43(30-49(66)47-19-15-16-26-63(47,10)32-41-22-20-40(21-23-41)29-48(65)44(24-25-51(67)68)60-54(70)52(58)35(4)5)56(71)62(9)46(34(2)3)31-50(74-38(8)64)55-61-45(33-75-55)53(69)59-42(27-37(7)57(72)73)28-39-17-13-12-14-18-39;1-2;;;/h15-17,20-21,23-26,28-29,40-44,49-52,54-56,60H,14,18-19,22,27,30-39H2,1-13H3,(H4-,71,72,73,84,85,86,87,89,90,91);12-14,17-18,20-23,25-26,37-41,46-49,51-53,57H,11,15-16,19,24,27-36,66H2,1-10H3,(H3-,67,68,79,80,81,82,84,85);12-14,17-18,20-23,33-37,42-44,46-47,50,52H,11,15-16,19,24-32,58H2,1-10H3,(H3-,59,60,67,68,69,70,72,73);1-2H3;3*1H4/p+3/t43-,44-,49+,50?,51-,52-,54+,55-,56+,60+,77?;40-,41-,46+,47?,48-,49-,51+,52-,53+,57+,72?;36-,37-,42+,43-,44-,46+,47+,50+,52-,63?;;;;/m000..../s1
InChIKeyNSUUSLZSCYOQDZ-MHRDFOLCSA-Q
MW3689.78 g/mol
LogP25.51
Rot. Bonds101

About (4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane

(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane (PubChem CID 158494430) has the molecular formula C197H289N20O41S3+3 and a molecular weight of 3689.78 g/mol. Its IUPAC name is (4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane.

Molecular Properties

Compound Name(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane
PubChem CID158494430
Molecular FormulaC197H289N20O41S3+3
Molecular Weight3689.78 g/mol
Exact Mass3687.03
IUPAC Name(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane
SMILESC.C.C.CC.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCC[N+]1(C)Cc1ccc(CC(=O)[C@H](CCC(=O)O)NC(=O)C(CC(=O)[C@H](CN)N2C(=O)C=CC2=O)C(C)C)cc1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCC[N+]1(C)Cc1ccc(CC(=O)[C@H](CCC(=O)O)NC(=O)C(CC(=O)[C@H](CNC(=O)OC(C)(C)C)N2C(=O)C=CC2=O)C(C)C)cc1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCC[N+]1(C)Cc1ccc(CC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)C(C)C)cc1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C
InChIInChI=1S/C70H97N7O16S.C65H89N7O14S.C57H82N6O11S.C2H6.3CH4/c1-14-43(6)51(67(88)75(12)54(42(4)5)37-60(92-45(8)78)66-74-53(40-94-66)65(87)72-49(32-44(7)68(89)90)33-46-20-16-15-17-21-46)36-59(81)56-22-18-19-31-77(56,13)39-48-25-23-47(24-26-48)34-57(79)52(27-30-63(84)85)73-64(86)50(41(2)3)35-58(80)55(76-61(82)28-29-62(76)83)38-71-69(91)93-70(9,10)11;1-11-40(6)48(64(83)70(9)51(39(4)5)34-57(86-42(8)73)63-69-50(37-87-63)62(82)67-46(29-41(7)65(84)85)30-43-17-13-12-14-18-43)33-56(76)53-19-15-16-28-72(53,10)36-45-22-20-44(21-23-45)31-54(74)49(24-27-60(79)80)68-61(81)47(38(2)3)32-55(75)52(35-66)71-58(77)25-26-59(71)78;1-11-36(6)43(30-49(66)47-19-15-16-26-63(47,10)32-41-22-20-40(21-23-41)29-48(65)44(24-25-51(67)68)60-54(70)52(58)35(4)5)56(71)62(9)46(34(2)3)31-50(74-38(8)64)55-61-45(33-75-55)53(69)59-42(27-37(7)57(72)73)28-39-17-13-12-14-18-39;1-2;;;/h15-17,20-21,23-26,28-29,40-44,49-52,54-56,60H,14,18-19,22,27,30-39H2,1-13H3,(H4-,71,72,73,84,85,86,87,89,90,91);12-14,17-18,20-23,25-26,37-41,46-49,51-53,57H,11,15-16,19,24,27-36,66H2,1-10H3,(H3-,67,68,79,80,81,82,84,85);12-14,17-18,20-23,33-37,42-44,46-47,50,52H,11,15-16,19,24-32,58H2,1-10H3,(H3-,59,60,67,68,69,70,72,73);1-2H3;3*1H4/p+3/t43-,44-,49+,50?,51-,52-,54+,55-,56+,60+,77?;40-,41-,46+,47?,48-,49-,51+,52-,53+,57+,72?;36-,37-,42+,43-,44-,46+,47+,50+,52-,63?;;;;/m000..../s1
InChIKeyNSUUSLZSCYOQDZ-MHRDFOLCSA-Q
XLogP25.51
TPSA878.59 Ų
H-Bond Donors15
H-Bond Acceptors43
Rotatable Bonds101
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003689.78
LogP ≤ 525.51
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1043

Analyze (4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[[(2R)-1-[[4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl]-1-methylpiperidin-1-ium-2-carbonyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 118949547
(2S,3S,4S,5R,6S)-6-[4-[[(2R)-2-[[(2S,3S)-1-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]carbamoyl]-1-methylpiperidin-1-ium-1-yl]methyl]-2-[3-[[(2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanoylamino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 130382895
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carboxylic acid
CID 157452068
(2S,3S,4S,5R,6S)-6-[4-[[(2R)-2-[[(2S,3S)-1-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]carbamoyl]-1-methylpiperidin-1-ium-1-yl]methyl]-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(5S)-5-[[(2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-6-oxo-6-(propylamino)hexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 137407026
(2S,4R)-4-[[2-[(1R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 158927688
(2S,3S,4S,5R,6S)-6-[4-[[(2R)-2-[[(2S,3S)-1-[[(1R,3R)-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]carbamoyl]-1-methylpiperidin-1-ium-1-yl]methyl]-2-[3-[[(2S)-2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoylamino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 130364541
4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 118949473
(2S,3S,4S,5R,6S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]-2-[3-[[(2S)-2-amino-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]propanoylamino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 161320957
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-3-methyl-2-[[(2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 137360357
(2S,3S,4S,5R,6S)-6-[4-[[(2R)-2-[[(2S,3S)-1-[[(1R,3R)-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-(2-methylprop-2-enoxy)pentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]carbamoyl]-1-methylpiperidin-1-ium-1-yl]methyl]-2-[3-[[(2S)-2-[[(2S)-2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]propanoylamino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 137417067
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(3S)-2-amino-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 118447359
[4-methyl-3-[methyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[(4-methyl-1-phenylpentan-2-yl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate
CID 161155097

Frequently Asked Questions

What is the IUPAC name of (4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane?
The IUPAC name of (4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane (CID 158494430) is (4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane.
What is the SMILES notation for (4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane?
The canonical SMILES for (4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane is C.C.C.CC.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCC[N+]1(C)Cc1ccc(CC(=O)[C@H](CCC(=O)O)NC(=O)C(CC(=O)[C@H](CN)N2C(=O)C=CC2=O)C(C)C)cc1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCC[N+]1(C)Cc1ccc(CC(=O)[C@H](CCC(=O)O)NC(=O)C(CC(=O)[C@H](CNC(=O)OC(C)(C)C)N2C(=O)C=CC2=O)C(C)C)cc1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCC[N+]1(C)Cc1ccc(CC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)C(C)C)cc1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C.
What is the InChIKey of (4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane?
The InChIKey is NSUUSLZSCYOQDZ-MHRDFOLCSA-Q. The full InChI is InChI=1S/C70H97N7O16S.C65H89N7O14S.C57H82N6O11S.C2H6.3CH4/c1-14-43(6)51(67(88)75(12)54(42(4)5)37-60(92-45(8)78)66-74-53(40-94-66)65(87)72-49(32-44(7)68(89)90)33-46-20-16-15-17-21-46)36-59(81)56-22-18-19-31-77(56,13)39-48-25-23-47(24-26-48)34-57(79)52(27-30-63(84)85)73-64(86)50(41(2)3)35-58(80)55(76-61(82)28-29-62(76)83)38-71-69(91)93-70(9,10)11;1-11-40(6)48(64(83)70(9)51(39(4)5)34-57(86-42(8)73)63-69-50(37-87-63)62(82)67-46(29-41(7)65(84)85)30-43-17-13-12-14-18-43)33-56(76)53-19-15-16-28-72(53,10)36-45-22-20-44(21-23-45)31-54(74)49(24-27-60(79)80)68-61(81)47(38(2)3)32-55(75)52(35-66)71-58(77)25-26-59(71)78;1-11-36(6)43(30-49(66)47-19-15-16-26-63(47,10)32-41-22-20-40(21-23-41)29-48(65)44(24-25-51(67)68)60-54(70)52(58)35(4)5)56(71)62(9)46(34(2)3)31-50(74-38(8)64)55-61-45(33-75-55)53(69)59-42(27-37(7)57(72)73)28-39-17-13-12-14-18-39;1-2;;;/h15-17,20-21,23-26,28-29,40-44,49-52,54-56,60H,14,18-19,22,27,30-39H2,1-13H3,(H4-,71,72,73,84,85,86,87,89,90,91);12-14,17-18,20-23,25-26,37-41,46-49,51-53,57H,11,15-16,19,24,27-36,66H2,1-10H3,(H3-,67,68,79,80,81,82,84,85);12-14,17-18,20-23,33-37,42-44,46-47,50,52H,11,15-16,19,24-32,58H2,1-10H3,(H3-,59,60,67,68,69,70,72,73);1-2H3;3*1H4/p+3/t43-,44-,49+,50?,51-,52-,54+,55-,56+,60+,77?;40-,41-,46+,47?,48-,49-,51+,52-,53+,57+,72?;36-,37-,42+,43-,44-,46+,47+,50+,52-,63?;;;;/m000..../s1.
What are the key properties of (4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane?
(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane has a molecular weight of 3689.78 g/mol, XLogP of 25.51, 101 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-6-amino-5-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxohexanoic acid;(4S)-6-[4-[[(2R)-2-[(3S,4S)-3-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylcarbamoyl]-4-methylhexanoyl]-1-methylpiperidin-1-ium-1-yl]methyl]phenyl]-4-[[(2S,5S)-5-(2,5-dioxopyrrol-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxohexanoic acid;ethane;methane is sourced from PubChem (CID 158494430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).