
| CAS Number | 832729-13-2 |
| Catalog Number | AG01ENOF(AGN-PC-0UO9Q4) |
| Chemical Name | L-Argininamide,L-phenylalanyl-L-glutaminyl-L-tryptophyl-L-glutaminyl-L-arginyl-L-asparaginyl-L-isoleucyl-L-arginyl-L-lysyl-L-valyl- |
| IUPAC Name | (2S)-N-[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]pentanediamide |
| InChI | InChI=1S/C69H112N26O14/c1-5-37(4)55(66(109)91-46(23-15-31-84-69(80)81)58(101)88-44(20-11-12-28-70)62(105)94-54(36(2)3)65(108)86-43(56(75)99)21-13-29-82-67(76)77)95-64(107)50(34-53(74)98)93-59(102)45(22-14-30-83-68(78)79)89-60(103)48(25-27-52(73)97)90-63(106)49(33-39-35-85-42-19-10-9-18-40(39)42)92-61(104)47(24-26-51(72)96)87-57(100)41(71)32-38-16-7-6-8-17-38/h6-10,16-19,35-37,41,43-50,54-55,85H,5,11-15,20-34,70-71H2,1-4H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,99)(H,86,108)(H,87,100)(H,88,101)(H,89,103)(H,90,106)(H,91,109)(H,92,104)(H,93,102)(H,94,105)(H,95,107)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t37-,41-,43-,44-,45-,46-,47-,48-,49-,50-,54-,55-/m0/s1 |
| InChI Key | SIROSQHTQDVQTI-JDJCIBPGSA-N |
| MDL Number | MFCD20926363 |
| Molecular Formula | C69H112N26O14 |
| Molecular Weight | 1529.7934 |
| SMILES | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCNC(=N)N)C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)CCC(=O)N)CCC(=O)N)CCCNC(=N)N)CC(=O)N)CCCNC(=N)N |
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