Ddsvvcaamssfa

Structural Information

Molecular Formula

C₅₃H₈₃N₁₃O₂₁S₂

SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C53H83N13O21S2/c1-23(2)39(66-52(85)40(24(3)4)65-49(82)35(21-69)62-46(79)32(18-38(72)73)59-43(76)29(54)17-37(70)71)51(84)64-36(22-88)50(83)56-25(5)41(74)55-26(6)42(75)58-30(14-15-89-8)44(77)61-34(20-68)48(81)63-33(19-67)47(80)60-31(16-28-12-10-9-11-13-28)45(78)57-27(7)53(86)87/h9-13,23-27,29-36,39-40,67-69,88H,14-22,54H2,1-8H3,(H,55,74)(H,56,83)(H,57,78)(H,58,75)(H,59,76)(H,60,80)(H,61,77)(H,62,79)(H,63,81)(H,64,84)(H,65,82)(H,66,85)(H,70,71)(H,72,73)(H,86,87)/t25-,26-,27-,29-,30-,31-,32-,33-,34-,35-,36-,39-,40-/m0/s1

InChIKey

XUHWTBBAVVBPIK-AYIFMIFSSA-N

Compound name

(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16072928