Tcrvdhrgatf

Structural Information

Molecular Formula

C₅₂H₈₃N₁₉O₁₆S

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](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/C52H83N19O16S/c1-24(2)39(70-43(79)31(14-10-16-60-52(56)57)65-46(82)35(22-88)69-47(83)38(53)26(4)72)48(84)67-33(19-37(75)76)45(81)66-32(18-29-20-58-23-62-29)44(80)64-30(13-9-15-59-51(54)55)42(78)61-21-36(74)63-25(3)41(77)71-40(27(5)73)49(85)68-34(50(86)87)17-28-11-7-6-8-12-28/h6-8,11-12,20,23-27,30-35,38-40,72-73,88H,9-10,13-19,21-22,53H2,1-5H3,(H,58,62)(H,61,78)(H,63,74)(H,64,80)(H,65,82)(H,66,81)(H,67,84)(H,68,85)(H,69,83)(H,70,79)(H,71,77)(H,75,76)(H,86,87)(H4,54,55,59)(H4,56,57,60)/t25-,26+,27+,30-,31-,32-,33-,34-,35-,38-,39-,40-/m0/s1

InChIKey

OKFBABQGRWHQFB-UOKJYGKWSA-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,3R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-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 71598212