Tcradhrgltf

Structural Information

Molecular Formula

C₅₃H₈₅N₁₉O₁₆S

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(=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@@H](C)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N)O

InChI

InChI=1S/C53H85N19O16S/c1-25(2)17-33(47(83)72-41(28(5)74)50(86)70-36(51(87)88)18-29-11-7-6-8-12-29)65-38(75)22-62-43(79)31(13-9-15-60-52(55)56)66-45(81)34(19-30-21-59-24-63-30)69-46(82)35(20-39(76)77)68-42(78)26(3)64-44(80)32(14-10-16-61-53(57)58)67-48(84)37(23-89)71-49(85)40(54)27(4)73/h6-8,11-12,21,24-28,31-37,40-41,73-74,89H,9-10,13-20,22-23,54H2,1-5H3,(H,59,63)(H,62,79)(H,64,80)(H,65,75)(H,66,81)(H,67,84)(H,68,78)(H,69,82)(H,70,86)(H,71,85)(H,72,83)(H,76,77)(H,87,88)(H4,55,56,60)(H4,57,58,61)/t26-,27+,28+,31-,32-,33-,34-,35-,36-,37-,40-,41-/m0/s1

InChIKey

QHYMXRPWPQDUJA-LSBCJJFESA-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]propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-hydroxy-1-oxobutan-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 71598104