Schembl29441500

Structural Information

Molecular Formula

C₆₉H₉₅N₁₅O₂₄

SMILES

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)C)O

InChI

InChI=1S/C69H95N15O24/c1-33(57(96)71-34(2)59(98)76-45(27-39-12-8-7-9-13-39)60(99)72-35(3)58(97)75-44(56(70)95)26-40-16-20-42(91)21-17-40)73-65(104)51-14-11-25-84(51)69(108)55(37(5)89)82-67(106)54(36(4)88)81-62(101)47(29-53(93)94)77-63(102)48(30-85)80-64(103)49(31-86)79-61(100)46(28-41-18-22-43(92)23-19-41)78-66(105)52-15-10-24-83(52)68(107)50(32-87)74-38(6)90/h7-9,12-13,16-23,33-37,44-52,54-55,85-89,91-92H,10-11,14-15,24-32H2,1-6H3,(H2,70,95)(H,71,96)(H,72,99)(H,73,104)(H,74,90)(H,75,97)(H,76,98)(H,77,102)(H,78,105)(H,79,100)(H,80,103)(H,81,101)(H,82,106)(H,93,94)/t33-,34-,35-,36+,37+,44-,45-,46-,47-,48-,49-,50-,51-,52-,54-,55-/m0/s1

InChIKey

YPZKTTRVKRHWSD-MZOMORSBSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[(2S,3R)-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16134225