(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-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]heptanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]heptanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]heptanamide

Structural Information

Molecular Formula

C₆₄H₁₁₉N₁₇O₁₁

SMILES

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

InChI

InChI=1S/C64H119N17O11/c1-37(2)49(73-53(84)30-44(68)29-43-22-24-48(82)25-23-43)34-56(87)76-60(41(9)10)80-63(91)71-46(20-14-17-27-66)32-55(86)75-51(39(5)6)36-58(89)78-61(42(11)12)81-64(92)72-47(21-15-18-28-67)33-54(85)74-50(38(3)4)35-57(88)77-59(40(7)8)79-62(90)70-45(31-52(69)83)19-13-16-26-65/h22-25,37-42,44-47,49-51,59-61,82H,13-21,26-36,65-68H2,1-12H3,(H2,69,83)(H,73,84)(H,74,85)(H,75,86)(H,76,87)(H,77,88)(H,78,89)(H2,70,79,90)(H2,71,80,91)(H2,72,81,92)/t44-,45-,46-,47-,49+,50+,51+,59+,60+,61+/m0/s1

InChIKey

CTYSKXKAINJYQS-CNAAUAPRSA-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-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]heptanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]heptanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]heptanamide

Related CIDs

• CID 129901068