(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid

C128H205N31O27 — CID 162673865

About (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid

(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid (PubChem CID 162673865) has the molecular formula C128H205N31O27 and a molecular weight of 2610.24 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
• PubChem CID: 162673865
• Molecular Formula: C128H205N31O27
• Molecular Weight: 2610.24 g/mol
• Exact Mass: 2608.56
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cn2cc(nn2)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
• InChI: InChI=1S/C128H205N31O27/c1-19-76(14)104(127(184)159-56-38-50-101(159)123(180)147-92(59-72(6)7)114(171)149-97(128(185)186)64-83-43-27-22-28-44-83)153-119(176)94(61-74(10)11)144-108(165)79(17)137-121(178)99(69-160)151-116(173)90(57-70(2)3)143-107(164)78(16)135-106(163)77(15)136-110(167)86(45-29-33-51-129)141-117(174)95(62-81-39-23-20-24-40-81)138-102(162)66-134-122(179)100-49-37-55-158(100)126(183)89(48-32-36-54-132)142-113(170)91(58-71(4)5)145-118(175)96(63-82-41-25-21-26-42-82)146-120(177)98-68-157-67-84(155-156-157)65-85(133)109(166)139-87(46-30-34-52-130)111(168)140-88(47-31-35-53-131)112(169)154-105(80(18)161)125(182)152-103(75(12)13)124(181)148-93(60-73(8)9)115(172)150-98/h20-28,39-44,67,70-80,85-101,103-105,160-161H,19,29-38,45-66,68-69,129-133H2,1-18H3,(H,134,179)(H,135,163)(H,136,167)(H,137,178)(H,138,162)(H,139,166)(H,140,168)(H,141,174)(H,142,170)(H,143,164)(H,144,165)(H,145,175)(H,146,177)(H,147,180)(H,148,181)(H,149,171)(H,150,172)(H,151,173)(H,152,182)(H,153,176)(H,154,169)(H,185,186)/t76-,77-,78-,79-,80+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,103-,104-,105-/m0/s1
• InChIKey: FPKVZYIGHWKANG-LORFVROTSA-N
• XLogP: -3.35
• TPSA: 890.29 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 34
• Rotatable Bonds: 70
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2610.24
LogP ≤ 5	-3.35
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid?

The IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid (CID 162673865) is (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid.

What is the SMILES notation for (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid?

The canonical SMILES for (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid is CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cn2cc(nn2)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O.

What is the InChIKey of (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid?

The InChIKey is FPKVZYIGHWKANG-LORFVROTSA-N. The full InChI is InChI=1S/C128H205N31O27/c1-19-76(14)104(127(184)159-56-38-50-101(159)123(180)147-92(59-72(6)7)114(171)149-97(128(185)186)64-83-43-27-22-28-44-83)153-119(176)94(61-74(10)11)144-108(165)79(17)137-121(178)99(69-160)151-116(173)90(57-70(2)3)143-107(164)78(16)135-106(163)77(15)136-110(167)86(45-29-33-51-129)141-117(174)95(62-81-39-23-20-24-40-81)138-102(162)66-134-122(179)100-49-37-55-158(100)126(183)89(48-32-36-54-132)142-113(170)91(58-71(4)5)145-118(175)96(63-82-41-25-21-26-42-82)146-120(177)98-68-157-67-84(155-156-157)65-85(133)109(166)139-87(46-30-34-52-130)111(168)140-88(47-31-35-53-131)112(169)154-105(80(18)161)125(182)152-103(75(12)13)124(181)148-93(60-73(8)9)115(172)150-98/h20-28,39-44,67,70-80,85-101,103-105,160-161H,19,29-38,45-66,68-69,129-133H2,1-18H3,(H,134,179)(H,135,163)(H,136,167)(H,137,178)(H,138,162)(H,139,166)(H,140,168)(H,141,174)(H,142,170)(H,143,164)(H,144,165)(H,145,175)(H,146,177)(H,147,180)(H,148,181)(H,149,171)(H,150,172)(H,151,173)(H,152,182)(H,153,176)(H,154,169)(H,185,186)/t76-,77-,78-,79-,80+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,103-,104-,105-/m0/s1.

What are the key properties of (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid?

(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid has a molecular weight of 2610.24 g/mol, XLogP of -3.35, 70 rotatable bonds, 29 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S)-21-amino-15,18-bis(4-aminobutyl)-12-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-9-propan-2-yl-1,4,7,10,13,16,19,24,25-nonazabicyclo[21.2.1]hexacosa-23(26),24-diene-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 162673865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).