Wo-00208251

Structural Information

Molecular Formula

C₅₅H₈₄N₁₂O₁₉

SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N)NC(=O)C2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C55H84N12O19/c1-10-12-33(45(76)54(85)57-24-39(71)64-42(26(2)3)52(83)63-37(25-68)50(81)62-36(49(80)58-29(8)46(56)77)23-31-14-16-32(70)17-15-31)60-51(82)38-13-11-22-67(38)55(86)44(28(6)7)66-53(84)43(27(4)5)65-48(79)35(19-21-41(74)75)61-47(78)34(59-30(9)69)18-20-40(72)73/h14-17,26-29,33-38,42-44,68,70H,10-13,18-25H2,1-9H3,(H2,56,77)(H,57,85)(H,58,80)(H,59,69)(H,60,82)(H,61,78)(H,62,81)(H,63,83)(H,64,71)(H,65,79)(H,66,84)(H,72,73)(H,74,75)/t29-,33-,34-,35-,36-,37-,38?,42-,43-,44-/m0/s1

InChIKey

PFUXOYVGDLWEFS-CJTDZIEASA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[2-[[(3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 3010815