[r1a]12p1

Structural Information

Molecular Formula

C₆₀H₉₃N₁₅O₁₈S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C)N

InChI

InChI=1S/C60H93N15O18S2/c1-9-29(3)47(73-49(81)31(5)61)58(90)71-40(25-44(62)77)54(86)69-41(26-45(63)78)55(87)74-48(30(4)10-2)59(91)75-21-13-16-43(75)57(89)70-39(24-33-27-64-35-15-12-11-14-34(33)35)53(85)72-42(28-76)56(88)67-36(17-18-46(79)80)51(83)65-32(6)50(82)66-37(19-22-94-7)52(84)68-38(60(92)93)20-23-95-8/h11-12,14-15,27,29-32,36-43,47-48,64,76H,9-10,13,16-26,28,61H2,1-8H3,(H2,62,77)(H2,63,78)(H,65,83)(H,66,82)(H,67,88)(H,68,84)(H,69,86)(H,70,89)(H,71,90)(H,72,85)(H,73,81)(H,74,87)(H,79,80)(H,92,93)/t29-,30-,31-,32-,36-,37-,38-,39-,40-,41-,42-,43-,47-,48-/m0/s1

InChIKey

LNVOXUHLIYZCBH-WBNAIMGGSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5496462