Ac-asn-lys-cys-tyr-cys-lys-lys-cys-cys-tyr-his-cys-oh

Structural Information

Molecular Formula

C₆₃H₉₆N₁₈O₁₇S₅

SMILES

CC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=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](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C63H96N18O17S5/c1-33(82)70-45(25-51(67)85)58(92)72-41(10-4-7-21-66)54(88)77-47(28-100)60(94)75-43(23-35-13-17-38(84)18-14-35)56(90)79-46(27-99)59(93)73-39(8-2-5-19-64)52(86)71-40(9-3-6-20-65)53(87)78-49(30-102)62(96)80-48(29-101)61(95)74-42(22-34-11-15-37(83)16-12-34)55(89)76-44(24-36-26-68-32-69-36)57(91)81-50(31-103)63(97)98/h11-18,26,32,39-50,83-84,99-103H,2-10,19-25,27-31,64-66H2,1H3,(H2,67,85)(H,68,69)(H,70,82)(H,71,86)(H,72,92)(H,73,93)(H,74,95)(H,75,94)(H,76,89)(H,77,88)(H,78,87)(H,79,90)(H,80,96)(H,81,91)(H,97,98)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1

InChIKey

NIYVVPYGGKRIMU-OBCMTGTFSA-N

Compound name

(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-acetamido-4-amino-4-oxobutanoyl]amino]-6-aminohexanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-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-sulfanylpropanoic acid

Related CIDs

• CID 16131521