For research use only. Not for therapeutic Use.
Catalog Number | M115981 |
CAS Number | 127634-26-8 |
Molecular Formula | C62H79N15O11 |
Purity | ≥95% |
Storage | Store at -20°C |
IUPAC Name | (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |
InChI | InChI=1S/C62H79N15O11/c63-44(28-16-30-68-61(64)65)53(80)73-48(34-41-22-10-3-11-23-41)57(84)74-46(32-39-18-6-1-7-19-39)54(81)70-37-52(79)71-47(33-40-20-8-2-9-21-40)55(82)77-51(38-78)59(86)76-50(36-43-26-14-5-15-27-43)58(85)75-49(35-42-24-12-4-13-25-42)56(83)72-45(60(87)88)29-17-31-69-62(66)67/h1-15,18-27,44-51,78H,16-17,28-38,63H2,(H,70,81)(H,71,79)(H,72,83)(H,73,80)(H,74,84)(H,75,85)(H,76,86)(H,77,82)(H,87,88)(H4,64,65,68)(H4,66,67,69)/t44-,45-,46-,47-,48+,49-,50+,51-/m0/s1 |
InChIKey | KMVOQECDYQMJIP-SWAPPRGVSA-N |
SMILES | C1=CC=C(C=C1)CC(C(=O)NC(CO)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CCCN=C(N)N)N |