(2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane

C190H310N26O45 — CID 159890446

About (2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane

(2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane (PubChem CID 159890446) has the molecular formula C190H310N26O45 and a molecular weight of 3678.71 g/mol. Its IUPAC name is (2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane.

Molecular Properties

• Compound Name: (2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane
• PubChem CID: 159890446
• Molecular Formula: C190H310N26O45
• Molecular Weight: 3678.71 g/mol
• Exact Mass: 3676.28
• IUPAC Name: (2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane
• SMILES: C.CCC(Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)C[C@@H](C(=O)N[C@H](C(=O)C[C@@H](CO)C(=O)N[C@H]1C(=O)C[C@@H](C)C(=O)N[C@@H](CCC/N=C(\C)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC.CCCCC[C@@H]1NC(=O)[C@H](C)CC(=O)[C@H](NC(=O)[C@H](CO)CC(=O)[C@@H](NC(=O)[C@H](CC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C(CC)Cc2ccccc2)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@H](C)OC(=O)[C@H]([C@@H](C)CC)NC1=O.CCCCC[C@@H]1NC(=O)[C@H](C)CC(=O)[C@H](NC(=O)[C@H](CO)CC(=O)[C@@H](NC(=O)[C@H](CC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC)Cc2ccccc2)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@H](C)OC(=O)[C@H]([C@@H](C)CC)NC1=O
• InChI: InChI=1S/C63H102N10O15.2C63H102N8O15.CH4/c1-13-34(6)44(31-48(76)45(25-26-51(65)79)67-61(85)47(33-75)69-62(86)53(36(8)15-3)71-57(81)42(17-5)29-41-22-19-18-20-23-41)59(83)70-52(35(7)14-2)50(78)30-43(32-74)58(82)73-55-39(11)88-63(87)54(37(9)16-4)72-60(84)46(24-21-27-66-40(12)64)68-56(80)38(10)28-49(55)77;2*1-13-19-21-26-46-60(82)70-54(38(10)17-5)63(85)86-40(12)55(49(75)29-39(11)56(78)66-46)71-58(80)43(33-72)31-50(76)52(36(8)15-3)68-59(81)44(35(7)14-2)32-48(74)45(27-28-51(64)77)65-61(83)47(34-73)67-62(84)53(37(9)16-4)69-57(79)42(18-6)30-41-24-22-20-23-25-41;/h18-20,22-23,34-39,42-47,52-55,74-75H,13-17,21,24-33H2,1-12H3,(H2,64,66)(H2,65,79)(H,67,85)(H,68,80)(H,69,86)(H,70,83)(H,71,81)(H,72,84)(H,73,82);2*20,22-25,35-40,42-47,52-55,72-73H,13-19,21,26-34H2,1-12H3,(H2,64,77)(H,65,83)(H,66,78)(H,67,84)(H,68,81)(H,69,79)(H,70,82)(H,71,80);1H4/t34-,35-,36-,37-,38+,39-,42?,43-,44+,45+,46-,47-,52-,53-,54-,55+;35-,36-,37-,38-,39+,40-,42?,43-,44+,45+,46-,47-,52-,53-,54-,55+;35-,36-,37-,38-,39+,40-,42+,43-,44+,45+,46-,47-,52-,53-,54-,55+;/m000./s1
• InChIKey: NURLDELDWOZESZ-RVSHWOLFSA-N
• XLogP: 9.28
• TPSA: 1132.66 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 46
• Rotatable Bonds: 108
• Heavy Atoms: 261
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3678.71
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane?

The IUPAC name of (2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane (CID 159890446) is (2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane.

What is the SMILES notation for (2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane?

The canonical SMILES for (2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane is C.CCC(Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)C[C@@H](C(=O)N[C@H](C(=O)C[C@@H](CO)C(=O)N[C@H]1C(=O)C[C@@H](C)C(=O)N[C@@H](CCC/N=C(\C)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC.CCCCC[C@@H]1NC(=O)[C@H](C)CC(=O)[C@H](NC(=O)[C@H](CO)CC(=O)[C@@H](NC(=O)[C@H](CC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C(CC)Cc2ccccc2)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@H](C)OC(=O)[C@H]([C@@H](C)CC)NC1=O.CCCCC[C@@H]1NC(=O)[C@H](C)CC(=O)[C@H](NC(=O)[C@H](CO)CC(=O)[C@@H](NC(=O)[C@H](CC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC)Cc2ccccc2)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@H](C)OC(=O)[C@H]([C@@H](C)CC)NC1=O.

What is the InChIKey of (2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane?

The InChIKey is NURLDELDWOZESZ-RVSHWOLFSA-N. The full InChI is InChI=1S/C63H102N10O15.2C63H102N8O15.CH4/c1-13-34(6)44(31-48(76)45(25-26-51(65)79)67-61(85)47(33-75)69-62(86)53(36(8)15-3)71-57(81)42(17-5)29-41-22-19-18-20-23-41)59(83)70-52(35(7)14-2)50(78)30-43(32-74)58(82)73-55-39(11)88-63(87)54(37(9)16-4)72-60(84)46(24-21-27-66-40(12)64)68-56(80)38(10)28-49(55)77;2*1-13-19-21-26-46-60(82)70-54(38(10)17-5)63(85)86-40(12)55(49(75)29-39(11)56(78)66-46)71-58(80)43(33-72)31-50(76)52(36(8)15-3)68-59(81)44(35(7)14-2)32-48(74)45(27-28-51(64)77)65-61(83)47(34-73)67-62(84)53(37(9)16-4)69-57(79)42(18-6)30-41-24-22-20-23-25-41;/h18-20,22-23,34-39,42-47,52-55,74-75H,13-17,21,24-33H2,1-12H3,(H2,64,66)(H2,65,79)(H,67,85)(H,68,80)(H,69,86)(H,70,83)(H,71,81)(H,72,84)(H,73,82);2*20,22-25,35-40,42-47,52-55,72-73H,13-19,21,26-34H2,1-12H3,(H2,64,77)(H,65,83)(H,66,78)(H,67,84)(H,68,81)(H,69,79)(H,70,82)(H,71,80);1H4/t34-,35-,36-,37-,38+,39-,42?,43-,44+,45+,46-,47-,52-,53-,54-,55+;35-,36-,37-,38-,39+,40-,42?,43-,44+,45+,46-,47-,52-,53-,54-,55+;35-,36-,37-,38-,39+,40-,42+,43-,44+,45+,46-,47-,52-,53-,54-,55+;/m000./s1.

What are the key properties of (2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane?

(2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane has a molecular weight of 3678.71 g/mol, XLogP of 9.28, 108 rotatable bonds, 31 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R)-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-6-[3-(1-aminoethylideneamino)propyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-4-oxooctanediamide;bis((2R,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-benzylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(3S,6S,9R,12R,13S)-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-6-pentyl-1-oxa-4,7-diazacyclotridec-12-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide);methane is sourced from PubChem (CID 159890446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).