(2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid

C138H206N40O28 — CID 53344621

IUPAC(2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid
SMILESCC(=O)O.[H]/N=C(/N)NCCC[C@@H](N/C(CCCCCC/C(=N/[H])N[C@H](CCCN/C(N)=N/[H])C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(=O)N1[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)O)C[C@@H]2CCCC[C@@H]21)C1Cc2ccccc2C1)C1Cc2ccccc2C1)=N/[H])C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(=O)N1[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)O)C[C@@H]2CCCC[C@@H]21)C1Cc2ccccc2C1)C1Cc2ccccc2C1
InChIInChI=1S/C136H202N40O26.C2H4O2/c137-105(159-89(35-17-47-151-131(139)140)113(183)161-91(37-19-49-153-133(143)144)123(193)171-53-23-43-99(171)125(195)173-69-87(179)65-101(173)117(187)157-67-107(181)167-109(83-55-73-25-5-6-26-74(73)56-83)121(191)165-95(71-177)115(185)169-111(85-59-77-29-9-10-30-78(77)60-85)127(197)175-97-41-15-13-33-81(97)63-103(175)119(189)163-93(129(199)200)39-21-51-155-135(147)148)45-3-1-2-4-46-106(138)160-90(36-18-48-152-132(141)142)114(184)162-92(38-20-50-154-134(145)146)124(194)172-54-24-44-100(172)126(196)174-70-88(180)66-102(174)118(188)158-68-108(182)168-110(84-57-75-27-7-8-28-76(75)58-84)122(192)166-96(72-178)116(186)170-112(86-61-79-31-11-12-32-80(79)62-86)128(198)176-98-42-16-14-34-82(98)64-104(176)120(190)164-94(130(201)202)40-22-52-156-136(149)150;1-2(3)4/h5-12,25-32,81-104,109-112,177-180H,1-4,13-24,33-72H2,(H2,137,159)(H2,138,160)(H,157,187)(H,158,188)(H,161,183)(H,162,184)(H,163,189)(H,164,190)(H,165,191)(H,166,192)(H,167,181)(H,168,182)(H,169,185)(H,170,186)(H,199,200)(H,201,202)(H4,139,140,151)(H4,141,142,152)(H4,143,144,153)(H4,145,146,154)(H4,147,148,155)(H4,149,150,156);1H3,(H,3,4)/t81-,82-,87+,88+,89+,90+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,109-,110-,111+,112+;/m0./s1
InChIKeyPCVQFZXGJZULKY-JASHXAKHSA-N
MW2873.42 g/mol
LogP-6.01
Rot. Bonds71

About (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid

(2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid (PubChem CID 53344621) has the molecular formula C138H206N40O28 and a molecular weight of 2873.42 g/mol. Its IUPAC name is (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid
PubChem CID53344621
Molecular FormulaC138H206N40O28
Molecular Weight2873.42 g/mol
Exact Mass2871.59
IUPAC Name(2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid
SMILESCC(=O)O.[H]/N=C(/N)NCCC[C@@H](N/C(CCCCCC/C(=N/[H])N[C@H](CCCN/C(N)=N/[H])C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(=O)N1[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)O)C[C@@H]2CCCC[C@@H]21)C1Cc2ccccc2C1)C1Cc2ccccc2C1)=N/[H])C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(=O)N1[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)O)C[C@@H]2CCCC[C@@H]21)C1Cc2ccccc2C1)C1Cc2ccccc2C1
InChIInChI=1S/C136H202N40O26.C2H4O2/c137-105(159-89(35-17-47-151-131(139)140)113(183)161-91(37-19-49-153-133(143)144)123(193)171-53-23-43-99(171)125(195)173-69-87(179)65-101(173)117(187)157-67-107(181)167-109(83-55-73-25-5-6-26-74(73)56-83)121(191)165-95(71-177)115(185)169-111(85-59-77-29-9-10-30-78(77)60-85)127(197)175-97-41-15-13-33-81(97)63-103(175)119(189)163-93(129(199)200)39-21-51-155-135(147)148)45-3-1-2-4-46-106(138)160-90(36-18-48-152-132(141)142)114(184)162-92(38-20-50-154-134(145)146)124(194)172-54-24-44-100(172)126(196)174-70-88(180)66-102(174)118(188)158-68-108(182)168-110(84-57-75-27-7-8-28-76(75)58-84)122(192)166-96(72-178)116(186)170-112(86-61-79-31-11-12-32-80(79)62-86)128(198)176-98-42-16-14-34-82(98)64-104(176)120(190)164-94(130(201)202)40-22-52-156-136(149)150;1-2(3)4/h5-12,25-32,81-104,109-112,177-180H,1-4,13-24,33-72H2,(H2,137,159)(H2,138,160)(H,157,187)(H,158,188)(H,161,183)(H,162,184)(H,163,189)(H,164,190)(H,165,191)(H,166,192)(H,167,181)(H,168,182)(H,169,185)(H,170,186)(H,199,200)(H,201,202)(H4,139,140,151)(H4,141,142,152)(H4,143,144,153)(H4,145,146,154)(H4,147,148,155)(H4,149,150,156);1H3,(H,3,4)/t81-,82-,87+,88+,89+,90+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,109-,110-,111+,112+;/m0./s1
InChIKeyPCVQFZXGJZULKY-JASHXAKHSA-N
XLogP-6.01
TPSA1107.04 Ų
H-Bond Donors41
H-Bond Acceptors33
Rotatable Bonds71
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002873.42
LogP ≤ 5-6.01
H-Bond Donors ≤ 541
H-Bond Acceptors ≤ 1033

Analyze (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid
CID 53348381
(2S)-2-[[(2S,3aS,7aS)-1-[(3R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S,4S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 11804428
(2S)-2-[[(2S,3aS,7aS)-1-[(3R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid;acetic acid
CID 171340301
(2S)-2-[[(2S)-1-[(3R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 90380818
2-[(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid
CID 102370505
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 14162522
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 175925657
(4S)-5-[(3R)-3-[2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-4-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid
CID 10102917
(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S,4R)-1-[(2S,3R)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoic acid
CID 175922983
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[(2S)-2-[[2-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 175900013
(2S,3aS,7aS)-1-[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]-4-propoxypyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 102247013
2-[[2-[[1-[2-[[2-[[2-[[1-[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 78383833

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid?
The IUPAC name of (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid (CID 53344621) is (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid.
What is the SMILES notation for (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid?
The canonical SMILES for (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid is CC(=O)O.[H]/N=C(/N)NCCC[C@@H](N/C(CCCCCC/C(=N/[H])N[C@H](CCCN/C(N)=N/[H])C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(=O)N1[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)O)C[C@@H]2CCCC[C@@H]21)C1Cc2ccccc2C1)C1Cc2ccccc2C1)=N/[H])C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(=O)N1[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)O)C[C@@H]2CCCC[C@@H]21)C1Cc2ccccc2C1)C1Cc2ccccc2C1.
What is the InChIKey of (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid?
The InChIKey is PCVQFZXGJZULKY-JASHXAKHSA-N. The full InChI is InChI=1S/C136H202N40O26.C2H4O2/c137-105(159-89(35-17-47-151-131(139)140)113(183)161-91(37-19-49-153-133(143)144)123(193)171-53-23-43-99(171)125(195)173-69-87(179)65-101(173)117(187)157-67-107(181)167-109(83-55-73-25-5-6-26-74(73)56-83)121(191)165-95(71-177)115(185)169-111(85-59-77-29-9-10-30-78(77)60-85)127(197)175-97-41-15-13-33-81(97)63-103(175)119(189)163-93(129(199)200)39-21-51-155-135(147)148)45-3-1-2-4-46-106(138)160-90(36-18-48-152-132(141)142)114(184)162-92(38-20-50-154-134(145)146)124(194)172-54-24-44-100(172)126(196)174-70-88(180)66-102(174)118(188)158-68-108(182)168-110(84-57-75-27-7-8-28-76(75)58-84)122(192)166-96(72-178)116(186)170-112(86-61-79-31-11-12-32-80(79)62-86)128(198)176-98-42-16-14-34-82(98)64-104(176)120(190)164-94(130(201)202)40-22-52-156-136(149)150;1-2(3)4/h5-12,25-32,81-104,109-112,177-180H,1-4,13-24,33-72H2,(H2,137,159)(H2,138,160)(H,157,187)(H,158,188)(H,161,183)(H,162,184)(H,163,189)(H,164,190)(H,165,191)(H,166,192)(H,167,181)(H,168,182)(H,169,185)(H,170,186)(H,199,200)(H,201,202)(H4,139,140,151)(H4,141,142,152)(H4,143,144,153)(H4,145,146,154)(H4,147,148,155)(H4,149,150,156);1H3,(H,3,4)/t81-,82-,87+,88+,89+,90+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,109-,110-,111+,112+;/m0./s1.
What are the key properties of (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid?
(2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid has a molecular weight of 2873.42 g/mol, XLogP of -6.01, 71 rotatable bonds, 41 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;acetic acid is sourced from PubChem (CID 53344621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).