(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide

C147H213N37O35S2 — CID 159353573

About (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide (PubChem CID 159353573) has the molecular formula C147H213N37O35S2 and a molecular weight of 3122.68 g/mol. Its IUPAC name is (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide.

Molecular Properties

• Compound Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide
• PubChem CID: 159353573
• Molecular Formula: C147H213N37O35S2
• Molecular Weight: 3122.68 g/mol
• Exact Mass: 3120.55
• IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide
• SMILES: CCC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CSC1CC(=O)N(c2cccc(C(=O)N[C@H]3CC(O[C@H]4C[C@](O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)O[C@@H](C)[C@H]3O)c2)C1=O)C(C)=O.[H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC)C(C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O
• InChI: InChI=1S/C88H139N27O16S.C59H74N10O19S/c1-5-51(2)73(115-74(118)59(99-3)29-13-17-38-89)85(129)114-69(47-54-50-103-58-28-12-10-26-56(54)58)83(127)111-67(45-52-23-7-6-8-24-52)81(125)108-64(35-36-71(93)116)79(123)113-70(48-72(94)117)84(128)107-63(34-22-43-101-88(97)98)75(119)105-62(33-21-42-100-87(95)96)76(120)109-65(37-44-132-4)80(124)104-61(31-15-19-40-91)78(122)112-68(46-53-49-102-57-27-11-9-25-55(53)57)82(126)106-60(30-14-18-39-90)77(121)110-66(86(130)131)32-16-20-41-92;1-6-25(2)47(26(3)71)68-56(83)34(15-16-40(61)73)66-55(82)33(13-9-17-64-58(62)63)65-54(81)32(60)24-89-38-20-41(74)69(57(38)84)29-11-7-10-28(18-29)53(80)67-35-19-42(87-27(4)48(35)75)88-37-22-59(85,39(72)23-70)21-31-44(37)52(79)46-45(50(31)77)49(76)30-12-8-14-36(86-5)43(30)51(46)78/h6-12,23-28,49-51,59-70,73,99,102-103H,5,13-22,29-48,89-92H2,1-4H3,(H2,93,116)(H2,94,117)(H,104,124)(H,105,119)(H,106,126)(H,107,128)(H,108,125)(H,109,120)(H,110,121)(H,111,127)(H,112,122)(H,113,123)(H,114,129)(H,115,118)(H,130,131)(H4,95,96,100)(H4,97,98,101);7-8,10-12,14,18,25,27,32-35,37-38,42,47-48,70,75,77,79,85H,6,9,13,15-17,19-24,60H2,1-5H3,(H2,61,73)(H,65,81)(H,66,82)(H,67,80)(H,68,83)(H4,62,63,64)/t51?,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,73-;25?,27-,32-,33-,34-,35-,37-,38?,42?,47-,48+,59-/m00/s1
• InChIKey: LHQCJMIHHILXMA-MKTFHGCESA-N
• XLogP: -4.28
• TPSA: 1228.58 Ų
• H-Bond Donors: 41
• H-Bond Acceptors: 45
• Rotatable Bonds: 93
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3122.68
LogP ≤ 5	-4.28
H-Bond Donors ≤ 5	41
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide?

The IUPAC name of (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide (CID 159353573) is (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide.

What is the SMILES notation for (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide?

The canonical SMILES for (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide is CCC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CSC1CC(=O)N(c2cccc(C(=O)N[C@H]3CC(O[C@H]4C[C@](O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)O[C@@H](C)[C@H]3O)c2)C1=O)C(C)=O.[H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC)C(C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O.

What is the InChIKey of (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide?

The InChIKey is LHQCJMIHHILXMA-MKTFHGCESA-N. The full InChI is InChI=1S/C88H139N27O16S.C59H74N10O19S/c1-5-51(2)73(115-74(118)59(99-3)29-13-17-38-89)85(129)114-69(47-54-50-103-58-28-12-10-26-56(54)58)83(127)111-67(45-52-23-7-6-8-24-52)81(125)108-64(35-36-71(93)116)79(123)113-70(48-72(94)117)84(128)107-63(34-22-43-101-88(97)98)75(119)105-62(33-21-42-100-87(95)96)76(120)109-65(37-44-132-4)80(124)104-61(31-15-19-40-91)78(122)112-68(46-53-49-102-57-27-11-9-25-55(53)57)82(126)106-60(30-14-18-39-90)77(121)110-66(86(130)131)32-16-20-41-92;1-6-25(2)47(26(3)71)68-56(83)34(15-16-40(61)73)66-55(82)33(13-9-17-64-58(62)63)65-54(81)32(60)24-89-38-20-41(74)69(57(38)84)29-11-7-10-28(18-29)53(80)67-35-19-42(87-27(4)48(35)75)88-37-22-59(85,39(72)23-70)21-31-44(37)52(79)46-45(50(31)77)49(76)30-12-8-14-36(86-5)43(30)51(46)78/h6-12,23-28,49-51,59-70,73,99,102-103H,5,13-22,29-48,89-92H2,1-4H3,(H2,93,116)(H2,94,117)(H,104,124)(H,105,119)(H,106,126)(H,107,128)(H,108,125)(H,109,120)(H,110,121)(H,111,127)(H,112,122)(H,113,123)(H,114,129)(H,115,118)(H,130,131)(H4,95,96,100)(H4,97,98,101);7-8,10-12,14,18,25,27,32-35,37-38,42,47-48,70,75,77,79,85H,6,9,13,15-17,19-24,60H2,1-5H3,(H2,61,73)(H,65,81)(H,66,82)(H,67,80)(H,68,83)(H4,62,63,64)/t51?,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,73-;25?,27-,32-,33-,34-,35-,37-,38?,42?,47-,48+,59-/m00/s1.

What are the key properties of (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide?

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide has a molecular weight of 3122.68 g/mol, XLogP of -4.28, 93 rotatable bonds, 41 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid;(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-[1-[3-[[(2S,3S,4S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(3S)-4-methyl-2-oxohexan-3-yl]pentanediamide is sourced from PubChem (CID 159353573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).