Spx-101

Structural Information

Molecular Formula

C₅₃H₉₀N₁₄O₁₆

SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)N

InChI

InChI=1S/C53H90N14O16/c1-12-26(6)40(64-50(80)37-16-13-19-66(37)52(82)35(22-25(4)5)63-45(75)30(10)58-43(73)27(7)54)53(83)67-20-14-15-36(67)49(79)62-33(21-24(2)3)47(77)61-34(23-39(70)71)48(78)60-32(17-18-38(55)69)46(76)65-41(31(11)68)51(81)59-29(9)44(74)57-28(8)42(56)72/h24-37,40-41,68H,12-23,54H2,1-11H3,(H2,55,69)(H2,56,72)(H,57,74)(H,58,73)(H,59,81)(H,60,78)(H,61,77)(H,62,79)(H,63,75)(H,64,80)(H,65,76)(H,70,71)/t26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-,37-,40-,41-/m0/s1

InChIKey

GHHZWRGZMXHMIQ-DZLDEHGNSA-N

Compound name

(3S)-4-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 154731782