2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetic acid

4.2 InChI

InChI=1S/C68H110N22O18/c1-36(2)28-47(87-57(99)38(5)70)64(106)85-44(16-10-11-25-69)61(103)84-45(18-13-27-77-68(74)75)62(104)86-46(23-24-51(71)93)58(100)80-33-53(95)82-43(17-12-26-76-67(72)73)63(105)90-56(39(6)91)66(108)89-48(29-37(3)4)65(107)88-50(31-41-19-21-42(92)22-20-41)60(102)81-34-54(96)83-49(30-40-14-8-7-9-15-40)59(101)79-32-52(94)78-35-55(97)98/h7-9,14-15,19-22,36-39,43-50,56,91-92H,10-13,16-18,23-35,69-70H2,1-6H3,(H2,71,93)(H,78,94)(H,79,101)(H,80,100)(H,81,102)(H,82,95)(H,83,96)(H,84,103)(H,85,106)(H,86,104)(H,87,99)(H,88,107)(H,89,108)(H,90,105)(H,97,98)(H4,72,73,76)(H4,74,75,77)/t38-,39+,43-,44-,45-,46-,47-,48-,49-,50-,56-/m0/s1

4.3 InChIKey

VNTJGCYVIRTGMZ-PXGLAOGESA-N

4.4 Canonical SMILES

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)NCC(=O)O)NC(=O)C(C)N

4.5 Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)O

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)