Acetyl-gfrkfhkfwa-nh2

Structural Information

Molecular Formula

C₆₉H₉₃N₁₉O₁₁

SMILES

C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)CNC(=O)C

InChI

InChI=1S/C69H93N19O11/c1-42(60(72)91)80-64(95)57(36-47-38-78-50-26-13-12-25-49(47)50)87-66(97)55(34-45-21-8-4-9-22-45)85-63(94)52(28-15-17-31-71)83-68(99)58(37-48-39-75-41-79-48)88-67(98)56(35-46-23-10-5-11-24-46)86-62(93)51(27-14-16-30-70)82-61(92)53(29-18-32-76-69(73)74)84-65(96)54(33-44-19-6-3-7-20-44)81-59(90)40-77-43(2)89/h3-13,19-26,38-39,41-42,51-58,78H,14-18,27-37,40,70-71H2,1-2H3,(H2,72,91)(H,75,79)(H,77,89)(H,80,95)(H,81,90)(H,82,92)(H,83,99)(H,84,96)(H,85,94)(H,86,93)(H,87,97)(H,88,98)(H4,73,74,76)/t42-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1

InChIKey

GZFVPLCWYJJVCL-ODFXWFFESA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide

Related CIDs

• CID 25086959