(2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid

C128H214N38O36S — CID 157431852

About (2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid

(2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid (PubChem CID 157431852) has the molecular formula C128H214N38O36S and a molecular weight of 2893.42 g/mol. Its IUPAC name is (2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid.

Molecular Properties

• Compound Name: (2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid
• PubChem CID: 157431852
• Molecular Formula: C128H214N38O36S
• Molecular Weight: 2893.42 g/mol
• Exact Mass: 2891.58
• IUPAC Name: (2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid
• SMILES: CCCC(=O)[C@H](C)NC(=O)[C@H](CSC)CC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)COCCCC(=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](N)CCC(=O)O.[H]/N=C(\N)NCCC[C@@H](CC(=O)[C@H](Cc1ccc(C(C)=O)cc1)NC(=O)COCCNC(C)=O)C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)C[C@H](CCCN/C(N)=N/[H])C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)C[C@H](CCCN/C(N)=N/[H])C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)C[C@H](CCCN/C(N)=N/[H])C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)CCC(N)=O
• InChI: InChI=1S/C72H127N31O14.C56H87N7O22S/c1-41(104)44-21-19-43(20-22-44)35-53(99-60(112)40-117-34-33-90-42(2)105)58(110)39-48(14-6-28-94-68(80)81)64(116)103-52(18-10-32-98-72(88)89)57(109)38-47(13-5-27-93-67(78)79)63(115)102-51(17-9-31-97-71(86)87)56(108)37-46(12-4-26-92-66(76)77)62(114)101-50(16-8-30-96-70(84)85)55(107)36-45(11-3-25-91-65(74)75)61(113)100-49(15-7-29-95-69(82)83)54(106)23-24-59(73)111;1-6-9-42(65)32(4)59-54(82)35(30-86-5)25-36(64)28-58-55(83)40(24-31(2)3)62-56(84)41-10-7-22-63(41)46(69)29-85-23-8-11-43(66)38(15-20-50(76)77)60-53(81)34(13-18-48(72)73)27-45(68)39(16-21-51(78)79)61-52(80)33(12-17-47(70)71)26-44(67)37(57)14-19-49(74)75/h19-22,45-53H,3-18,23-40H2,1-2H3,(H2,73,111)(H,90,105)(H,99,112)(H,100,113)(H,101,114)(H,102,115)(H,103,116)(H4,74,75,91)(H4,76,77,92)(H4,78,79,93)(H4,80,81,94)(H4,82,83,95)(H4,84,85,96)(H4,86,87,97)(H4,88,89,98);31-35,37-41H,6-30,57H2,1-5H3,(H,58,83)(H,59,82)(H,60,81)(H,61,80)(H,62,84)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)/t45-,46-,47-,48-,49+,50+,51+,52+,53-;32-,33-,34-,35-,37+,38+,39+,40-,41-/m00/s1
• InChIKey: BQQBXLGUMAISEK-XYIQQAFVSA-N
• XLogP: -5.17
• TPSA: 1297.45 Ų
• H-Bond Donors: 42
• H-Bond Acceptors: 41
• Rotatable Bonds: 113
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2893.42
LogP ≤ 5	-5.17
H-Bond Donors ≤ 5	42
H-Bond Acceptors ≤ 10	41

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'}

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid?

The IUPAC name of (2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid (CID 157431852) is (2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid.

What is the SMILES notation for (2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid?

The canonical SMILES for (2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid is CCCC(=O)[C@H](C)NC(=O)[C@H](CSC)CC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)COCCCC(=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](N)CCC(=O)O.[H]/N=C(\N)NCCC[C@@H](CC(=O)[C@H](Cc1ccc(C(C)=O)cc1)NC(=O)COCCNC(C)=O)C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)C[C@H](CCCN/C(N)=N/[H])C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)C[C@H](CCCN/C(N)=N/[H])C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)C[C@H](CCCN/C(N)=N/[H])C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)CCC(N)=O.

What is the InChIKey of (2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid?

The InChIKey is BQQBXLGUMAISEK-XYIQQAFVSA-N. The full InChI is InChI=1S/C72H127N31O14.C56H87N7O22S/c1-41(104)44-21-19-43(20-22-44)35-53(99-60(112)40-117-34-33-90-42(2)105)58(110)39-48(14-6-28-94-68(80)81)64(116)103-52(18-10-32-98-72(88)89)57(109)38-47(13-5-27-93-67(78)79)63(115)102-51(17-9-31-97-71(86)87)56(108)37-46(12-4-26-92-66(76)77)62(114)101-50(16-8-30-96-70(84)85)55(107)36-45(11-3-25-91-65(74)75)61(113)100-49(15-7-29-95-69(82)83)54(106)23-24-59(73)111;1-6-9-42(65)32(4)59-54(82)35(30-86-5)25-36(64)28-58-55(83)40(24-31(2)3)62-56(84)41-10-7-22-63(41)46(69)29-85-23-8-11-43(66)38(15-20-50(76)77)60-53(81)34(13-18-48(72)73)27-45(68)39(16-21-51(78)79)61-52(80)33(12-17-47(70)71)26-44(67)37(57)14-19-49(74)75/h19-22,45-53H,3-18,23-40H2,1-2H3,(H2,73,111)(H,90,105)(H,99,112)(H,100,113)(H,101,114)(H,102,115)(H,103,116)(H4,74,75,91)(H4,76,77,92)(H4,78,79,93)(H4,80,81,94)(H4,82,83,95)(H4,84,85,96)(H4,86,87,97)(H4,88,89,98);31-35,37-41H,6-30,57H2,1-5H3,(H,58,83)(H,59,82)(H,60,81)(H,61,80)(H,62,84)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)/t45-,46-,47-,48-,49+,50+,51+,52+,53-;32-,33-,34-,35-,37+,38+,39+,40-,41-/m00/s1.

What are the key properties of (2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid?

(2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid has a molecular weight of 2893.42 g/mol, XLogP of -5.17, 113 rotatable bonds, 42 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-5-[[(2S,5R)-5-[[(2S,5R)-5-[[(2S,5S)-5-[[2-(2-acetamidoethoxy)acetyl]amino]-6-(4-acetylphenyl)-2-(3-carbamimidamidopropyl)-4-oxohexanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanoyl]amino]-N-[(4R)-8-amino-1-carbamimidamido-5,8-dioxooctan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-4-oxooctanamide;(4R,7S)-4-amino-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R)-1-carboxy-7-[2-[(2S)-2-[[(2S)-4-methyl-1-[[(4R)-4-(methylsulfanylmethyl)-2,5-dioxo-5-[[(2S)-3-oxohexan-2-yl]amino]pentyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethoxy]-4-oxoheptan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid is sourced from PubChem (CID 157431852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).