Chembl273566

Structural Information

Molecular Formula

C₅₂H₉₅N₁₅O₁₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C52H95N15O16S/c1-6-29(4)42(43(58)74)67-49(80)33(15-9-12-23-55)59-45(76)31(13-7-10-21-53)60-50(81)36(25-28(2)3)64-47(78)34(17-19-41(72)73)62-46(77)32(14-8-11-22-54)61-51(82)37(26-39(57)69)65-48(79)35(20-24-84-5)63-52(83)38(27-68)66-44(75)30(56)16-18-40(70)71/h28-38,42,68H,6-27,53-56H2,1-5H3,(H2,57,69)(H2,58,74)(H,59,76)(H,60,81)(H,61,82)(H,62,77)(H,63,83)(H,64,78)(H,65,79)(H,66,75)(H,67,80)(H,70,71)(H,72,73)/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,42-/m0/s1

InChIKey

GEIJCSDWENVAMR-MBYUFZISSA-N

Compound name

(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 11847116