Ac-cys-lys-lys-cys-cys-tyr-his-cys-gln-met-cys-phe-oh

Structural Information

Molecular Formula

C₆₃H₉₅N₁₇O₁₆S₆

SMILES

CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C63H95N17O16S6/c1-34(81)69-46(28-97)58(90)71-39(12-6-8-21-64)52(84)70-40(13-7-9-22-65)53(85)77-50(32-101)62(94)80-48(30-99)60(92)74-43(24-36-14-16-38(82)17-15-36)56(88)75-44(26-37-27-67-33-68-37)57(89)79-47(29-98)59(91)72-41(18-19-51(66)83)54(86)73-42(20-23-102-2)55(87)78-49(31-100)61(93)76-45(63(95)96)25-35-10-4-3-5-11-35/h3-5,10-11,14-17,27,33,39-50,82,97-101H,6-9,12-13,18-26,28-32,64-65H2,1-2H3,(H2,66,83)(H,67,68)(H,69,81)(H,70,84)(H,71,90)(H,72,91)(H,73,86)(H,74,92)(H,75,88)(H,76,93)(H,77,85)(H,78,87)(H,79,89)(H,80,94)(H,95,96)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1

InChIKey

RISVLWSWFGQRAB-OBCMTGTFSA-N

Compound name

(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 502154