(4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid

C111H160N22O25S2 — CID 16729387

About (4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid

(4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid (PubChem CID 16729387) has the molecular formula C111H160N22O25S2 and a molecular weight of 2266.76 g/mol. Its IUPAC name is (4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 16729387
• Molecular Formula: C111H160N22O25S2
• Molecular Weight: 2266.76 g/mol
• Exact Mass: 2265.14
• IUPAC Name: (4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)C(C)C)C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC1=O
• InChI: InChI=1S/C111H160N22O25S2/c1-12-64(9)90(128-92(138)66(11)115-94(140)72(45-46-87(136)137)116-93(139)71(113)52-61(3)4)109(155)132-50-30-43-84(132)104(150)124-80-59-159-160-60-81(125-103(149)83-42-29-49-131(83)108(154)85-44-31-51-133(85)110(156)91(65(10)13-2)129-99(145)79(58-134)123-100(80)146)101(147)127-88(62(5)6)105(151)121-75(54-68-34-20-15-21-35-68)96(142)118-74(53-67-32-18-14-19-33-67)95(141)119-77(57-86(114)135)97(143)117-73(40-26-27-47-112)107(153)130-48-28-41-82(130)102(148)120-76(55-69-36-22-16-23-37-69)98(144)126-89(63(7)8)106(152)122-78(111(157)158)56-70-38-24-17-25-39-70/h14-25,32-39,61-66,71-85,88-91,134H,12-13,26-31,40-60,112-113H2,1-11H3,(H2,114,135)(H,115,140)(H,116,139)(H,117,143)(H,118,142)(H,119,141)(H,120,148)(H,121,151)(H,122,152)(H,123,146)(H,124,150)(H,125,149)(H,126,144)(H,127,147)(H,128,138)(H,129,145)(H,136,137)(H,157,158)/t64-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,88-,89-,90-,91-/m0/s1
• InChIKey: PXVWWSSTCCAART-FDLQWMBGSA-N
• XLogP: -0.67
• TPSA: 707.70 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 27
• Rotatable Bonds: 53
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2266.76
LogP ≤ 5	-0.67
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of (4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid (CID 16729387) is (4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for (4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid is CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)C(C)C)C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC1=O.

What is the InChIKey of (4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid?

The InChIKey is PXVWWSSTCCAART-FDLQWMBGSA-N. The full InChI is InChI=1S/C111H160N22O25S2/c1-12-64(9)90(128-92(138)66(11)115-94(140)72(45-46-87(136)137)116-93(139)71(113)52-61(3)4)109(155)132-50-30-43-84(132)104(150)124-80-59-159-160-60-81(125-103(149)83-42-29-49-131(83)108(154)85-44-31-51-133(85)110(156)91(65(10)13-2)129-99(145)79(58-134)123-100(80)146)101(147)127-88(62(5)6)105(151)121-75(54-68-34-20-15-21-35-68)96(142)118-74(53-67-32-18-14-19-33-67)95(141)119-77(57-86(114)135)97(143)117-73(40-26-27-47-112)107(153)130-48-28-41-82(130)102(148)120-76(55-69-36-22-16-23-37-69)98(144)126-89(63(7)8)106(152)122-78(111(157)158)56-70-38-24-17-25-39-70/h14-25,32-39,61-66,71-85,88-91,134H,12-13,26-31,40-60,112-113H2,1-11H3,(H2,114,135)(H,115,140)(H,116,139)(H,117,143)(H,118,142)(H,119,141)(H,120,148)(H,121,151)(H,122,152)(H,123,146)(H,124,150)(H,125,149)(H,126,144)(H,127,147)(H,128,138)(H,129,145)(H,136,137)(H,157,158)/t64-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,88-,89-,90-,91-/m0/s1.

What are the key properties of (4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid?

(4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 2266.76 g/mol, XLogP of -0.67, 53 rotatable bonds, 21 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-5-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(3S,9S,12S,15R,20R,23S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12-(hydroxymethyl)-2,8,11,14,22-pentaoxo-17,18-dithia-1,7,10,13,21-pentazatricyclo[21.3.0.03,7]hexacosan-15-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 16729387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).