Aa414

Structural Information

Molecular Formula

C₅₂H₇₄N₁₂O₁₉

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)O

InChI

InChI=1S/C52H74N12O19/c1-24(43(74)54-25(2)45(76)59-34(20-30-11-8-7-9-12-30)46(77)55-26(3)44(75)58-33(42(53)73)19-31-14-16-32(70)17-15-31)56-50(81)38-13-10-18-64(38)52(83)41(28(5)68)63-51(82)40(27(4)67)62-47(78)35(21-39(71)72)60-49(80)37(23-66)61-48(79)36(22-65)57-29(6)69/h7-9,11-12,14-17,24-28,33-38,40-41,65-68,70H,10,13,18-23H2,1-6H3,(H2,53,73)(H,54,74)(H,55,77)(H,56,81)(H,57,69)(H,58,75)(H,59,76)(H,60,80)(H,61,79)(H,62,78)(H,63,82)(H,71,72)/t24-,25-,26-,27+,28+,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1

InChIKey

UYEYBCKFYCNEMK-QQQNMBBDSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-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 6483638