For research use only. Not for therapeutic Use.
| Catalog Number | M111323 |
| CAS Number | 133337-29-8 |
| Molecular Formula | C62H99N19O16 |
| Purity | ≥95% |
| Storage | Desiccate at -20C |
| IUPAC Name | 2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]butanediamide |
| InChI | InChI=1S/C62H99N19O16/c1-32(2)25-42(77-53(89)35(6)71-60(96)49(33(3)4)80-58(94)44(28-46(65)84)78-55(91)40(21-14-15-23-63)76-57(93)43(74-47(85)29-64)27-38-19-12-9-13-20-38)56(92)79-45(31-82)59(95)81-50(36(7)83)61(97)72-34(5)52(88)75-39(22-16-24-69-62(67)68)54(90)70-30-48(86)73-41(51(66)87)26-37-17-10-8-11-18-37/h8-13,17-20,32-36,39-45,49-50,82-83H,14-16,21-31,63-64H2,1-7H3,(H2,65,84)(H2,66,87)(H,70,90)(H,71,96)(H,72,97)(H,73,86)(H,74,85)(H,75,88)(H,76,93)(H,77,89)(H,78,91)(H,79,92)(H,80,94)(H,81,95)(H4,67,68,69)/t34-,35-,36+,39-,40-,41-,42-,43-,44?,45-,49-,50-/m0/s1 |
| InChIKey | MJFBBKFOFMSTNF-KHZGWRAISA-N |
| SMILES | CC(C)CC(C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)NC(=O)CN |
