(3s)-7-amino-3-[[(1r)-1-[[(3r)-3-[[(3s)-7-amino-3-[[(1r)-1-[[(3r)-3-[[(3s)-7-amino-3-[[(1r)-1-[[(3r)-3-[[(3s)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-4-methyl-hexanoyl]amino]propyl]carbamoylamino]heptanoyl]amino]-4-methyl-hexanoyl]amino]propyl]carbamoylamino]heptanoyl]amino]-4-methyl-hexanoyl]amino]propyl]carbamoylamino]heptanamide

Structural Information

Molecular Formula

C₆₄H₁₁₉N₁₇O₁₁

SMILES

CC[C@H](NC(=O)C[C@H](C(C)CC)NC(=O)C[C@H](CCCCN)NC(=O)N[C@H](CC)NC(=O)C[C@H](C(C)CC)NC(=O)C[C@H](CCCCN)NC(=O)N[C@H](CC)NC(=O)C[C@H](C(C)CC)NC(=O)C[C@H](CC1=CC=C(C=C1)O)N)NC(=O)N[C@@H](CCCCN)CC(=O)N

InChI

InChI=1S/C64H119N17O11/c1-10-40(7)49(73-56(84)33-44(68)32-43-25-27-48(82)28-26-43)37-59(87)77-54(14-5)80-63(91)71-46(23-17-20-30-66)35-58(86)75-51(42(9)12-3)39-61(89)78-55(15-6)81-64(92)72-47(24-18-21-31-67)36-57(85)74-50(41(8)11-2)38-60(88)76-53(13-4)79-62(90)70-45(34-52(69)83)22-16-19-29-65/h25-28,40-42,44-47,49-51,53-55,82H,10-24,29-39,65-68H2,1-9H3,(H2,69,83)(H,73,84)(H,74,85)(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H2,70,79,90)(H2,71,80,91)(H2,72,81,92)/t40?,41?,42?,44-,45-,46-,47-,49+,50+,51+,53+,54+,55+/m0/s1

InChIKey

CDEAXHBQCJNKPZ-MZXAJETDSA-N

Compound name

(3S)-7-amino-3-[[(1R)-1-[[(3R)-3-[[(3S)-7-amino-3-[[(1R)-1-[[(3R)-3-[[(3S)-7-amino-3-[[(1R)-1-[[(3R)-3-[[(3S)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-4-methylhexanoyl]amino]propyl]carbamoylamino]heptanoyl]amino]-4-methylhexanoyl]amino]propyl]carbamoylamino]heptanoyl]amino]-4-methylhexanoyl]amino]propyl]carbamoylamino]heptanamide

Related CIDs

• CID 129904858