(4r)-5-[[(2s)-1-[[(2s,3s)-1-[[(2s)-1-[[(2r)-1-[(2s)-2-[[(2s)-1-[[(2s)-3-carboxy-1-[[(3s)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2s)-3-carboxy-2-(prop-1-en-2-ylamino)propanoyl]amino]-5-oxopentanoic acid

Structural Information

Molecular Formula

C₆₁H₁₀₀N₁₀O₁₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=C)C

InChI

InChI=1S/C61H100N10O16S/c1-10-36(8)52(70-58(84)42(27-34(4)5)65-53(79)40(23-24-49(73)74)63-56(82)45(30-50(75)76)62-35(6)7)60(86)68-44(29-39-20-15-12-16-21-39)55(81)69-47(32-88)61(87)71-25-17-22-48(71)59(85)67-43(28-38-18-13-11-14-19-38)54(80)66-46(31-51(77)78)57(83)64-41(37(9)72)26-33(2)3/h33-34,36,38-48,52,62,88H,6,10-32H2,1-5,7-9H3,(H,63,82)(H,64,83)(H,65,79)(H,66,80)(H,67,85)(H,68,86)(H,69,81)(H,70,84)(H,73,74)(H,75,76)(H,77,78)/t36-,40+,41-,42-,43-,44-,45-,46-,47-,48-,52-/m0/s1

InChIKey

KBGZSRVZTFPYPI-MSLLBBJESA-N

Compound name

(4R)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-3-carboxy-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-3-carboxy-2-(prop-1-en-2-ylamino)propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 500559