(2s)-1-[(2r)-2-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-benzyl-amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino

Structural Information

Molecular Formula

C₅₈H₁₀₇N₂₅O₉

SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)CN(CCCN=C(N)N)C(=O)CN(CC2=CC=CC=C2)C(=O)CN(CCCN=C(N)N)C(=O)CN(CCCN=C(N)N)C(=O)CNCCCCCCN)C(=O)N

InChI

InChI=1S/C58H107N25O9/c59-23-8-1-2-11-26-71-35-47(85)80(32-15-29-74-57(67)68)38-48(86)81(33-16-30-75-58(69)70)39-50(88)82(36-41-17-4-3-5-18-41)40-49(87)79(31-14-28-73-56(65)66)37-46(84)76-42(19-6-9-24-60)52(90)77-43(20-7-10-25-61)53(91)78-44(21-12-27-72-55(63)64)54(92)83-34-13-22-45(83)51(62)89/h3-5,17-18,42-45,71H,1-2,6-16,19-40,59-61H2,(H2,62,89)(H,76,84)(H,77,90)(H,78,91)(H4,63,64,72)(H4,65,66,73)(H4,67,68,74)(H4,69,70,75)/t42-,43-,44-,45+/m1/s1

InChIKey

PHIRWRJXMDCHJF-GBYUNDSOSA-N

Compound name

(2S)-1-[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-benzylamino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide

Related CIDs

• CID 462369