Nh2-ala-ser-cys-asp-lys-cys-gln-leu-lys-gly-glu-ala-met-his-gly-cooh

Structural Information

Molecular Formula

C₆₂H₁₀₄N₂₀O₂₂S₃

SMILES

C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)O)N

InChI

InChI=1S/C62H104N20O22S3/c1-30(2)20-39(77-56(98)37(12-14-45(66)84)76-61(103)43(27-105)81-55(97)35(11-7-9-18-64)75-59(101)41(22-48(88)89)79-62(104)44(28-106)82-60(102)42(26-83)80-50(92)31(3)65)58(100)74-34(10-6-8-17-63)52(94)68-24-46(85)72-36(13-15-47(86)87)54(96)71-32(4)51(93)73-38(16-19-107-5)57(99)78-40(21-33-23-67-29-70-33)53(95)69-25-49(90)91/h23,29-32,34-44,83,105-106H,6-22,24-28,63-65H2,1-5H3,(H2,66,84)(H,67,70)(H,68,94)(H,69,95)(H,71,96)(H,72,85)(H,73,93)(H,74,100)(H,75,101)(H,76,103)(H,77,98)(H,78,99)(H,79,104)(H,80,92)(H,81,97)(H,82,102)(H,86,87)(H,88,89)(H,90,91)/t31-,32-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1

InChIKey

DPUNTPCEYMAKKD-FJJQWLKKSA-N

Compound name

(4S)-4-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]acetyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16728934