Ac-eevvp-nv-(co)-gsdsys-am

Structural Information

Molecular Formula

C₅₃H₈₀N₁₂O₂₁

SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)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/C53H80N12O21/c1-7-9-30(43(76)52(85)55-21-38(71)57-35(23-67)48(81)62-36(24-68)49(82)60-33(20-28-11-13-29(70)14-12-28)47(80)61-34(22-66)44(54)77)58-50(83)37-10-8-19-65(37)53(86)42(26(4)5)64-51(84)41(25(2)3)63-46(79)32(16-18-40(74)75)59-45(78)31(56-27(6)69)15-17-39(72)73/h11-14,25-26,30-37,41-42,66-68,70H,7-10,15-24H2,1-6H3,(H2,54,77)(H,55,85)(H,56,69)(H,57,71)(H,58,83)(H,59,78)(H,60,82)(H,61,80)(H,62,81)(H,63,79)(H,64,84)(H,72,73)(H,74,75)/t30-,31-,32-,33-,34-,35-,36+,37?,41-,42-/m0/s1

InChIKey

NDMQUJGEHQPZBU-SMLMYXOASA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[2-[[(3S)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-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 504391
• CID 504394
• CID 504395