D-phe-cys-tyr-d-trp-lys-val-cys-trp-nh2

Structural Information

Molecular Formula

C₅₇H₇₂N₁₂O₉S₂

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CS)NC(=O)[C@@H](CC6=CC=CC=C6)N

InChI

InChI=1S/C57H72N12O9S2/c1-32(2)49(57(78)68-48(31-80)55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)69-52(73)43(18-10-11-23-58)63-54(75)46(27-36-29-62-42-17-9-7-15-39(36)42)66-53(74)45(25-34-19-21-37(70)22-20-34)65-56(77)47(30-79)67-51(72)40(59)24-33-12-4-3-5-13-33/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70,79-80H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/t40-,43+,44+,45+,46-,47+,48+,49+/m1/s1

InChIKey

KGLGUDHEKBYBDR-DOUNNPEJSA-N

Compound name

(2S)-6-amino-N-[(2S)-1-[[(2R)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide

Related CIDs

• CID 9919874
• CID 18544760