Tcrvdhrglaf

Structural Information

Molecular Formula

C₅₄H₈₇N₁₉O₁₅S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N)O

InChI

InChI=1S/C54H87N19O15S/c1-26(2)18-34(46(81)65-28(5)43(78)71-37(52(87)88)19-30-12-8-7-9-13-30)66-39(75)23-63-44(79)32(14-10-16-61-53(56)57)67-47(82)35(20-31-22-60-25-64-31)69-48(83)36(21-40(76)77)70-51(86)42(27(3)4)73-45(80)33(15-11-17-62-54(58)59)68-49(84)38(24-89)72-50(85)41(55)29(6)74/h7-9,12-13,22,25-29,32-38,41-42,74,89H,10-11,14-21,23-24,55H2,1-6H3,(H,60,64)(H,63,79)(H,65,81)(H,66,75)(H,67,82)(H,68,84)(H,69,83)(H,70,86)(H,71,78)(H,72,85)(H,73,80)(H,76,77)(H,87,88)(H4,56,57,61)(H4,58,59,62)/t28-,29+,32-,33-,34-,35-,36-,37-,38-,41-,42-/m0/s1

InChIKey

BGBLKQDDFSMNNZ-OQPQNKLHSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 71598249