(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid

C126H199N29O33 — CID 163758990

About (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid (PubChem CID 163758990) has the molecular formula C126H199N29O33 and a molecular weight of 2648.15 g/mol. Its IUPAC name is (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 163758990
• Molecular Formula: C126H199N29O33
• Molecular Weight: 2648.15 g/mol
• Exact Mass: 2646.48
• IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
• SMILES: CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(=O)O)NCc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NC.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C)C(C)=O
• InChI: InChI=1S/C69H108N16O14.C57H91N13O19/c1-12-40(8)58(85-67(98)53(33-44-21-14-13-15-22-44)82-65(96)52(32-38(4)5)80-61(92)49(26-20-30-74-69(72)73)77-59(90)41(9)39(6)7)68(99)79-50(27-28-57(88)89)62(93)83-54(34-45-36-75-47-24-17-16-23-46(45)47)66(97)81-51(31-37(2)3)64(95)78-48(25-18-19-29-70)60(91)84-55(35-56(71)87)63(94)76-42(10)43(11)86;1-7-9-18-34(49(82)67-39(23-27-44(74)75)53(86)68-40(24-28-45(76)77)52(85)66-38(22-26-43(72)73)48(81)62-32(3)47(80)60-6)63-51(84)37(21-25-42(59)71)65-50(83)35(20-14-15-29-58)69-56(89)57(4,5)70-55(88)36(19-10-8-2)64-54(87)41(30-46(78)79)61-31-33-16-12-11-13-17-33/h13-17,21-24,36-42,48-55,58,75H,12,18-20,25-35,70H2,1-11H3,(H2,71,87)(H,76,94)(H,77,90)(H,78,95)(H,79,99)(H,80,92)(H,81,97)(H,82,96)(H,83,93)(H,84,91)(H,85,98)(H,88,89)(H4,72,73,74);11-13,16-17,32,34-41,61H,7-10,14-15,18-31,58H2,1-6H3,(H2,59,71)(H,60,80)(H,62,81)(H,63,84)(H,64,87)(H,65,83)(H,66,85)(H,67,82)(H,68,86)(H,69,89)(H,70,88)(H,72,73)(H,74,75)(H,76,77)(H,78,79)/t40-,41-,42+,48-,49+,50-,51-,52-,53-,54-,55-,58-;32-,34-,35-,36-,37-,38-,39-,40-,41-/m00/s1
• InChIKey: LWNQYXXPDXFOMZ-PVYXXBKSSA-N
• XLogP: -1.71
• TPSA: 1016.01 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 32
• Rotatable Bonds: 91
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2648.15
LogP ≤ 5	-1.71
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	32

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 (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid (CID 163758990) is (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid is CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(=O)O)NCc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NC.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C)C(C)=O.

What is the InChIKey of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid?

The InChIKey is LWNQYXXPDXFOMZ-PVYXXBKSSA-N. The full InChI is InChI=1S/C69H108N16O14.C57H91N13O19/c1-12-40(8)58(85-67(98)53(33-44-21-14-13-15-22-44)82-65(96)52(32-38(4)5)80-61(92)49(26-20-30-74-69(72)73)77-59(90)41(9)39(6)7)68(99)79-50(27-28-57(88)89)62(93)83-54(34-45-36-75-47-24-17-16-23-46(45)47)66(97)81-51(31-37(2)3)64(95)78-48(25-18-19-29-70)60(91)84-55(35-56(71)87)63(94)76-42(10)43(11)86;1-7-9-18-34(49(82)67-39(23-27-44(74)75)53(86)68-40(24-28-45(76)77)52(85)66-38(22-26-43(72)73)48(81)62-32(3)47(80)60-6)63-51(84)37(21-25-42(59)71)65-50(83)35(20-14-15-29-58)69-56(89)57(4,5)70-55(88)36(19-10-8-2)64-54(87)41(30-46(78)79)61-31-33-16-12-11-13-17-33/h13-17,21-24,36-42,48-55,58,75H,12,18-20,25-35,70H2,1-11H3,(H2,71,87)(H,76,94)(H,77,90)(H,78,95)(H,79,99)(H,80,92)(H,81,97)(H,82,96)(H,83,93)(H,84,91)(H,85,98)(H,88,89)(H4,72,73,74);11-13,16-17,32,34-41,61H,7-10,14-15,18-31,58H2,1-6H3,(H2,59,71)(H,60,80)(H,62,81)(H,63,84)(H,64,87)(H,65,83)(H,66,85)(H,67,82)(H,68,86)(H,69,89)(H,70,88)(H,72,73)(H,74,75)(H,76,77)(H,78,79)/t40-,41-,42+,48-,49+,50-,51-,52-,53-,54-,55-,58-;32-,34-,35-,36-,37-,38-,39-,40-,41-/m00/s1.

What are the key properties of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid?

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 2648.15 g/mol, XLogP of -1.71, 91 rotatable bonds, 33 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-(benzylamino)-3-carboxypropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2R)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,3-dimethylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 163758990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).