![Chemical structure of (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid, CAS 190436-05-6](https://api.angenesci.com/structure/728/190436-05-6.png)
| CAS Number | 190436-05-6 |
| Catalog Number | AG00AP80(AGN-PC-0QJPOM) |
| Chemical Name | (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid |
| IUPAC Name | (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid |
| InChI | InChI=1S/C56H76N16O22/c1-27(64-47(85)32(57)21-44(80)81)46(84)66-34(13-15-42(76)77)50(88)69-37(18-28-6-3-2-4-7-28)52(90)67-33(8-5-17-61-56(58)59)49(87)70-38(20-30-23-60-26-63-30)53(91)71-39(22-45(82)83)54(92)72-40(25-73)48(86)62-24-41(75)65-36(19-29-9-11-31(74)12-10-29)51(89)68-35(55(93)94)14-16-43(78)79/h2-4,6-7,9-12,23,26-27,32-40,73-74H,5,8,13-22,24-25,57H2,1H3,(H,60,63)(H,62,86)(H,64,85)(H,65,75)(H,66,84)(H,67,90)(H,68,89)(H,69,88)(H,70,87)(H,71,91)(H,72,92)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,93,94)(H4,58,59,61)/t27-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1 |
| InChI Key | AGNCCPVJIGFHDN-BVISTOLDSA-N |
| MDL Number | MFCD00214593 |
| Molecular Formula | C56H76N16O22 |
| Molecular Weight | 1325.2966 |
| SMILES | OCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CCC(=O)O)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)N)C)CCC(=O)O)Cc1ccccc1)CCCN=C(N)N)Cc1cnc[nH]1)CC(=O)O |
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