H-his-ile-lys-glu-tyr-phe-tyr-thr-ser-gly-lys-cys-oh

Structural Information

Molecular Formula

C₆₈H₉₈N₁₆O₁₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC4=CN=CN4)N

InChI

InChI=1S/C68H98N16O19S/c1-4-37(2)56(83-58(92)45(71)31-42-32-72-36-74-42)66(100)77-47(15-9-11-27-70)61(95)76-48(24-25-55(90)91)62(96)78-50(29-40-16-20-43(87)21-17-40)64(98)79-49(28-39-12-6-5-7-13-39)63(97)80-51(30-41-18-22-44(88)23-19-41)65(99)84-57(38(3)86)67(101)81-52(34-85)59(93)73-33-54(89)75-46(14-8-10-26-69)60(94)82-53(35-104)68(102)103/h5-7,12-13,16-23,32,36-38,45-53,56-57,85-88,104H,4,8-11,14-15,24-31,33-35,69-71H2,1-3H3,(H,72,74)(H,73,93)(H,75,89)(H,76,95)(H,77,100)(H,78,96)(H,79,98)(H,80,97)(H,81,101)(H,82,94)(H,83,92)(H,84,99)(H,90,91)(H,102,103)/t37-,38+,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-/m0/s1

InChIKey

ICTZSDIQEZWGLW-RYHXZLKJSA-N

Compound name

(4S)-4-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130707