(4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane

C135H228N38O36S2 — CID 158557263

About (4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane

(4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane (PubChem CID 158557263) has the molecular formula C135H228N38O36S2 and a molecular weight of 3023.67 g/mol. Its IUPAC name is (4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane.

Molecular Properties

• Compound Name: (4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane
• PubChem CID: 158557263
• Molecular Formula: C135H228N38O36S2
• Molecular Weight: 3023.67 g/mol
• Exact Mass: 3021.66
• IUPAC Name: (4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane
• SMILES: C.CCC(=O)C[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)CC(CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)C[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)C[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)C[C@H](CS)C(N)=O.CNC(=O)[C@H](C)CC(=O)[C@H](CSC)NC(=O)CCC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)COCCCC(=O)[C@H](Cc1ccc(C(C)=O)cc1)NC(=O)[C@@H](CCC(=O)O)CC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)CC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)CC(=O)[C@@H](CCCCN)NC(C)=O
• InChI: InChI=1S/C75H111N9O26S.C59H113N29O10S.CH4/c1-42(2)34-54(59(88)24-25-64(93)79-56(41-111-7)60(89)35-43(3)71(105)77-6)83-75(109)57-13-10-32-84(57)65(94)40-110-33-11-14-58(87)55(36-46-15-17-47(18-16-46)44(4)85)82-74(108)50(21-28-68(99)100)39-63(92)53(23-30-70(103)104)81-73(107)49(20-27-67(97)98)38-62(91)52(22-29-69(101)102)80-72(106)48(19-26-66(95)96)37-61(90)51(78-45(5)86)12-8-9-31-76;1-2-38(89)27-33(11-3-19-77-52(61)62)48(95)85-39(15-7-23-81-56(69)70)43(90)28-34(12-4-20-78-53(63)64)49(96)86-40(16-8-24-82-57(71)72)44(91)29-35(13-5-21-79-54(65)66)50(97)87-41(17-9-25-83-58(73)74)45(92)30-36(14-6-22-80-55(67)68)51(98)88-42(18-10-26-84-59(75)76)46(93)31-37(32-99)47(60)94;/h15-18,42-43,48-57H,8-14,19-41,76H2,1-7H3,(H,77,105)(H,78,86)(H,79,93)(H,80,106)(H,81,107)(H,82,108)(H,83,109)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,103,104);33-37,39-42,99H,2-32H2,1H3,(H2,60,94)(H,85,95)(H,86,96)(H,87,97)(H,88,98)(H4,61,62,77)(H4,63,64,78)(H4,65,66,79)(H4,67,68,80)(H4,69,70,81)(H4,71,72,82)(H4,73,74,83)(H4,75,76,84);1H4/t43-,48+,49+,50+,51-,52-,53-,54+,55+,56+,57+;33-,34?,35-,36-,37+,39+,40+,41+,42+;/m10./s1
• InChIKey: HQLGITLBRIWCPP-FAOAIJFLSA-N
• XLogP: -4.31
• TPSA: 1325.29 Ų
• H-Bond Donors: 35
• H-Bond Acceptors: 42
• Rotatable Bonds: 117
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3023.67
LogP ≤ 5	-4.31
H-Bond Donors ≤ 5	35
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane?

The IUPAC name of (4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane (CID 158557263) is (4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane.

What is the SMILES notation for (4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane?

The canonical SMILES for (4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane is C.CCC(=O)C[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)CC(CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)C[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)C[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)C[C@H](CS)C(N)=O.CNC(=O)[C@H](C)CC(=O)[C@H](CSC)NC(=O)CCC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)COCCCC(=O)[C@H](Cc1ccc(C(C)=O)cc1)NC(=O)[C@@H](CCC(=O)O)CC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)CC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)CC(=O)[C@@H](CCCCN)NC(C)=O.

What is the InChIKey of (4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane?

The InChIKey is HQLGITLBRIWCPP-FAOAIJFLSA-N. The full InChI is InChI=1S/C75H111N9O26S.C59H113N29O10S.CH4/c1-42(2)34-54(59(88)24-25-64(93)79-56(41-111-7)60(89)35-43(3)71(105)77-6)83-75(109)57-13-10-32-84(57)65(94)40-110-33-11-14-58(87)55(36-46-15-17-47(18-16-46)44(4)85)82-74(108)50(21-28-68(99)100)39-63(92)53(23-30-70(103)104)81-73(107)49(20-27-67(97)98)38-62(91)52(22-29-69(101)102)80-72(106)48(19-26-66(95)96)37-61(90)51(78-45(5)86)12-8-9-31-76;1-2-38(89)27-33(11-3-19-77-52(61)62)48(95)85-39(15-7-23-81-56(69)70)43(90)28-34(12-4-20-78-53(63)64)49(96)86-40(16-8-24-82-57(71)72)44(91)29-35(13-5-21-79-54(65)66)50(97)87-41(17-9-25-83-58(73)74)45(92)30-36(14-6-22-80-55(67)68)51(98)88-42(18-10-26-84-59(75)76)46(93)31-37(32-99)47(60)94;/h15-18,42-43,48-57H,8-14,19-41,76H2,1-7H3,(H,77,105)(H,78,86)(H,79,93)(H,80,106)(H,81,107)(H,82,108)(H,83,109)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,103,104);33-37,39-42,99H,2-32H2,1H3,(H2,60,94)(H,85,95)(H,86,96)(H,87,97)(H,88,98)(H4,61,62,77)(H4,63,64,78)(H4,65,66,79)(H4,67,68,80)(H4,69,70,81)(H4,71,72,82)(H4,73,74,83)(H4,75,76,84);1H4/t43-,48+,49+,50+,51-,52-,53-,54+,55+,56+,57+;33-,34?,35-,36-,37+,39+,40+,41+,42+;/m10./s1.

What are the key properties of (4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane?

(4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane has a molecular weight of 3023.67 g/mol, XLogP of -4.31, 117 rotatable bonds, 35 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7S)-4-[[(2S,5R)-5-acetamido-9-amino-2-(2-carboxyethyl)-4-oxononanoyl]amino]-7-[[(3R,6S)-6-[[(2S)-1-(4-acetylphenyl)-6-[2-[(2S)-2-[[(4S)-2-methyl-8-[[(2R,5R)-5-methyl-6-(methylamino)-1-methylsulfanyl-3,6-dioxohexan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-3-oxohexan-2-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid;(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-8-amino-1-(diaminomethylideneamino)-5,8-dioxo-7-(sulfanylmethyl)octan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-[[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-oxohexanoyl]amino]-4-oxooctanamide;methane is sourced from PubChem (CID 158557263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).