(4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane

C162H214ClMn4N25O48S2+6 — CID 162289462

About (4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane

(4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane (PubChem CID 162289462) has the molecular formula C162H214ClMn4N25O48S2+6 and a molecular weight of 3598.96 g/mol. Its IUPAC name is (4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane.

Molecular Properties

• Compound Name: (4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane
• PubChem CID: 162289462
• Molecular Formula: C162H214ClMn4N25O48S2+6
• Molecular Weight: 3598.96 g/mol
• Exact Mass: 3596.17
• IUPAC Name: (4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane
• SMILES: CCC.CC[C@H](C)[C@H](NC(=O)[C@@H](CC(=O)[C@@H]1CSSC[C@H](NC(=O)C(CCC(=O)O)CC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCNC(=O)c2ccc(CN(CC(=O)O)[C@H]3CCCCC3N(CC(=O)O)CC(=O)O)nc2)NC(=O)c2ccc(CN(CC(=O)O)[C@H]3CCCCC3N(CC(=O)O)CC(=O)O)nc2)C(=O)N2C[C@H](O)C[C@H]2C(=O)C[C@@H](Cc2ccc(O)c(Cl)c2)C(=O)NCC(=O)C[C@@H](CC(C)C)C(=O)N1)Cc1ccc(O)cc1)C(=O)CC(CCC(N)=O)C(=O)NCc1ccc(CNC(=O)[C@H](CCNC(=O)c2ccc(CN(CC(=O)O)[C@H]3CCCCC3N(CC(=O)O)CC(=O)O)nc2)NC(=O)c2ccc(CN(CC(=O)O)[C@H]3CCCCC3N(CC(=O)O)CC(=O)O)nc2)cc1.[Mn+2].[Mn+2].[Mn+2].[Mn]
• InChI: InChI=1S/C159H206ClN25O48S2.C3H8.4Mn/c1-5-90(4)147(132(194)59-96(35-46-133(161)195)148(222)168-63-93-22-24-94(25-23-93)64-169-157(231)114(171-153(227)100-33-39-107(166-67-100)72-179(77-137(202)203)121-16-8-12-20-125(121)183(83-143(214)215)84-144(216)217)48-50-162-149(223)98-31-37-105(164-65-98)70-177(75-135(198)199)119-14-6-10-18-123(119)181(79-139(206)207)80-140(208)209)176-156(230)104(53-91-26-41-109(186)42-27-91)60-130(192)117-87-234-235-88-118(159(233)185-74-112(189)62-127(185)131(193)61-103(54-95-30-45-128(190)113(160)55-95)151(225)170-69-111(188)57-102(52-89(2)3)155(229)174-117)175-152(226)97(36-47-134(196)197)58-129(191)116(56-92-28-43-110(187)44-29-92)173-158(232)115(172-154(228)101-34-40-108(167-68-101)73-180(78-138(204)205)122-17-9-13-21-126(122)184(85-145(218)219)86-146(220)221)49-51-163-150(224)99-32-38-106(165-66-99)71-178(76-136(200)201)120-15-7-11-19-124(120)182(81-141(210)211)82-142(212)213;1-3-2;;;;/h22-34,37-45,55,65-68,89-90,96-97,102-104,112,114-127,147,186-187,189-190H,5-21,35-36,46-54,56-64,69-88H2,1-4H3,(H2,161,195)(H,162,223)(H,163,224)(H,168,222)(H,169,231)(H,170,225)(H,171,227)(H,172,228)(H,173,232)(H,174,229)(H,175,226)(H,176,230)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,220,221);3H2,1-2H3;;;;/q;;;3*+2/t90-,96?,97?,102+,103+,104+,112+,114-,115-,116-,117-,118-,119-,120-,121-,122-,123?,124?,125?,126?,127-,147-;;;;;/m0...../s1
• InChIKey: XSCXKMAEBWJTJH-VEUAPZQQSA-N
• XLogP: 5.83
• TPSA: 1112.15 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 49
• Rotatable Bonds: 89
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3598.96
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of (4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane?

The IUPAC name of (4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane (CID 162289462) is (4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane.

What is the SMILES notation for (4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane?

The canonical SMILES for (4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane is CCC.CC[C@H](C)[C@H](NC(=O)[C@@H](CC(=O)[C@@H]1CSSC[C@H](NC(=O)C(CCC(=O)O)CC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCNC(=O)c2ccc(CN(CC(=O)O)[C@H]3CCCCC3N(CC(=O)O)CC(=O)O)nc2)NC(=O)c2ccc(CN(CC(=O)O)[C@H]3CCCCC3N(CC(=O)O)CC(=O)O)nc2)C(=O)N2C[C@H](O)C[C@H]2C(=O)C[C@@H](Cc2ccc(O)c(Cl)c2)C(=O)NCC(=O)C[C@@H](CC(C)C)C(=O)N1)Cc1ccc(O)cc1)C(=O)CC(CCC(N)=O)C(=O)NCc1ccc(CNC(=O)[C@H](CCNC(=O)c2ccc(CN(CC(=O)O)[C@H]3CCCCC3N(CC(=O)O)CC(=O)O)nc2)NC(=O)c2ccc(CN(CC(=O)O)[C@H]3CCCCC3N(CC(=O)O)CC(=O)O)nc2)cc1.[Mn+2].[Mn+2].[Mn+2].[Mn].

What is the InChIKey of (4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane?

The InChIKey is XSCXKMAEBWJTJH-VEUAPZQQSA-N. The full InChI is InChI=1S/C159H206ClN25O48S2.C3H8.4Mn/c1-5-90(4)147(132(194)59-96(35-46-133(161)195)148(222)168-63-93-22-24-94(25-23-93)64-169-157(231)114(171-153(227)100-33-39-107(166-67-100)72-179(77-137(202)203)121-16-8-12-20-125(121)183(83-143(214)215)84-144(216)217)48-50-162-149(223)98-31-37-105(164-65-98)70-177(75-135(198)199)119-14-6-10-18-123(119)181(79-139(206)207)80-140(208)209)176-156(230)104(53-91-26-41-109(186)42-27-91)60-130(192)117-87-234-235-88-118(159(233)185-74-112(189)62-127(185)131(193)61-103(54-95-30-45-128(190)113(160)55-95)151(225)170-69-111(188)57-102(52-89(2)3)155(229)174-117)175-152(226)97(36-47-134(196)197)58-129(191)116(56-92-28-43-110(187)44-29-92)173-158(232)115(172-154(228)101-34-40-108(167-68-101)73-180(78-138(204)205)122-17-9-13-21-126(122)184(85-145(218)219)86-146(220)221)49-51-163-150(224)99-32-38-106(165-66-99)71-178(76-136(200)201)120-15-7-11-19-124(120)182(81-141(210)211)82-142(212)213;1-3-2;;;;/h22-34,37-45,55,65-68,89-90,96-97,102-104,112,114-127,147,186-187,189-190H,5-21,35-36,46-54,56-64,69-88H2,1-4H3,(H2,161,195)(H,162,223)(H,163,224)(H,168,222)(H,169,231)(H,170,225)(H,171,227)(H,172,228)(H,173,232)(H,174,229)(H,175,226)(H,176,230)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,220,221);3H2,1-2H3;;;;/q;;;3*+2/t90-,96?,97?,102+,103+,104+,112+,114-,115-,116-,117-,118-,119-,120-,121-,122-,123?,124?,125?,126?,127-,147-;;;;;/m0...../s1.

What are the key properties of (4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane?

(4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane has a molecular weight of 3598.96 g/mol, XLogP of 5.83, 89 rotatable bonds, 29 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,7S)-4-[[(3R,8R,11R,17R,20S,22R)-8-[(3R)-4-[[(3S,4S,7R)-10-amino-7-[[4-[[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]methyl]phenyl]methylcarbamoyl]-3-methyl-5,10-dioxodecan-4-yl]amino]-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,15-triazabicyclo[18.3.0]tricosan-3-yl]carbamoyl]-7-[[(2S)-2,4-bis[[6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carbonyl]amino]butanoyl]amino]-8-(4-hydroxyphenyl)-6-oxooctanoic acid;manganese;tris(manganese(2+));propane is sourced from PubChem (CID 162289462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).