Nh2-ala-leu-trp-met-thr-leu-leu-lys-lys-val-leu-lys-nh2

Structural Information

Molecular Formula

C₇₀H₁₂₃N₁₇O₁₃S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C70H123N17O13S/c1-38(2)32-52(81-60(90)43(11)74)66(96)83-56(36-45-37-76-47-23-15-14-22-46(45)47)68(98)80-51(27-31-101-13)63(93)87-58(44(12)88)70(100)85-55(35-41(7)8)67(97)82-53(33-39(3)4)65(95)79-49(25-17-20-29-72)61(91)78-50(26-18-21-30-73)62(92)86-57(42(9)10)69(99)84-54(34-40(5)6)64(94)77-48(59(75)89)24-16-19-28-71/h14-15,22-23,37-44,48-58,76,88H,16-21,24-36,71-74H2,1-13H3,(H2,75,89)(H,77,94)(H,78,91)(H,79,95)(H,80,98)(H,81,90)(H,82,97)(H,83,96)(H,84,99)(H,85,100)(H,86,92)(H,87,93)/t43-,44+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1

InChIKey

XEJCSMWLTRSVSQ-HXWOIHCUSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanamide

Related CIDs

• CID 5278309