Rinnipwsea

Structural Information

Molecular Formula

C₅₃H₈₂N₁₆O₁₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C53H82N16O16/c1-6-25(3)41(67-43(75)30(54)13-10-18-59-53(57)58)50(82)65-34(21-38(55)71)46(78)63-35(22-39(56)72)47(79)68-42(26(4)7-2)51(83)69-19-11-15-37(69)49(81)64-33(20-28-23-60-31-14-9-8-12-29(28)31)45(77)66-36(24-70)48(80)62-32(16-17-40(73)74)44(76)61-27(5)52(84)85/h8-9,12,14,23,25-27,30,32-37,41-42,60,70H,6-7,10-11,13,15-22,24,54H2,1-5H3,(H2,55,71)(H2,56,72)(H,61,76)(H,62,80)(H,63,78)(H,64,81)(H,65,82)(H,66,77)(H,67,75)(H,68,79)(H,73,74)(H,84,85)(H4,57,58,59)/t25-,26-,27-,30-,32-,33-,34-,35-,36-,37-,41-,42-/m0/s1

InChIKey

UENGSBZEBXCLKL-IOLKSEGISA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(1S)-1-carboxyethyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 516480